[{"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836030", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFISOPAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836030, "molecule_chembl_id": "CHEMBL404216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tofisopam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2037", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832097", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832097, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827245", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827245, "molecule_chembl_id": "CHEMBL4303716", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Isopomiferin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14250.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830906", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830906, "molecule_chembl_id": "CHEMBL1390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEDROXYPROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831093", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW842166X", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831093, "molecule_chembl_id": "CHEMBL225411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.26", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW-842166X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831094", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831094, "molecule_chembl_id": "CHEMBL225519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-767491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCc2[nH]c(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831109, "molecule_chembl_id": "CHEMBL230302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[2-(DIETHYLAMINO)ETHYL]-2-IODOBENZAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccccc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835993", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEDIZOLID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835993, "molecule_chembl_id": "CHEMBL1257051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.34", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tedizolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1987", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831310", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHIR-99021", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831310, "molecule_chembl_id": "CHEMBL412142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.35", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-99021 (CT99021) HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831127", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLIBANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831127, "molecule_chembl_id": "CHEMBL231068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLIBANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836001", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPOXALIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836001, "molecule_chembl_id": "CHEMBL316040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tepoxalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829283", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-755507", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829283, "molecule_chembl_id": "CHEMBL12998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.74", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-755507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832498", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832498, "molecule_chembl_id": "CHEMBL1555354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITA (NSC 652287)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832774", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832774, "molecule_chembl_id": "CHEMBL1956071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.36", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-772077B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@H](N)C3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828598", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828598, "molecule_chembl_id": "CHEMBL2360084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.90", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zuclopenthixol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3417", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838917", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838917, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "133.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827269", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827269, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10110.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838924", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2c adrenergic receptor", "pchembl_value": "6.32", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303088", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1916", "activity_id": 18838924, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "478.63", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "1.47", "sei": "40.23", "bei": "17.05", "le": "0.32"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838926", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M2", "pchembl_value": "5.32", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303774", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL211", "activity_id": 18838926, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4786.3", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "0.47", "sei": "33.86", "bei": "14.36", "le": "0.27"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827279", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827279, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.56", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831984", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIPOTRIENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831984, "molecule_chembl_id": "CHEMBL1200666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcipotriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831994", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPAMIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831994, "molecule_chembl_id": "CHEMBL1200932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "777.09", "alogp": "-1.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "IOPAMIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838944", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2b adrenergic receptor", "pchembl_value": "4.69", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303096", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1942", "activity_id": 18838944, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20417.38", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.54", "sei": "16.02", "bei": "16.61", "le": "0.31"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827644", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KHELLIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827644, "molecule_chembl_id": "CHEMBL44746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.24", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Khellin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2c(OC)c2c(=O)cc(C)oc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832252", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832252, "molecule_chembl_id": "CHEMBL1319514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROLOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962006", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIRAMESINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962006, "molecule_chembl_id": "CHEMBL61479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.59", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Siramesine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.995", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961793", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961793, "molecule_chembl_id": "CHEMBL3408248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.48", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD8186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.669", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961794", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHAPYRILENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961794, "molecule_chembl_id": "CHEMBL1255739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.86", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHAPYRILENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1cccs1)c1ccccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962021", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOSULPIRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962021, "molecule_chembl_id": "CHEMBL267044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "levosulpiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957225", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957225, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUMAZENIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963582", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963582, "molecule_chembl_id": "CHEMBL4303520", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.25", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bromantan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958984", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958984, "molecule_chembl_id": "CHEMBL1552984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "remacemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccccc1)(NC(=O)CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958986", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NYLIDRIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958986, "molecule_chembl_id": "CHEMBL1204337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NYLIDRIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963593", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRACINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963593, "molecule_chembl_id": "CHEMBL1851943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.49", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB939 (Pracinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963605", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENELZINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963605, "molecule_chembl_id": "CHEMBL1200895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENELZINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958319", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958319, "molecule_chembl_id": "CHEMBL566136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(N)sc(-c2ccccc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962867", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENASIDENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962867, "molecule_chembl_id": "CHEMBL3989908", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.38", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enasidenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958270", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958270, "molecule_chembl_id": "CHEMBL192139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.12", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119753"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963577", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963577, "molecule_chembl_id": "CHEMBL4303410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Schisandrin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.008", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962676", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962676, "molecule_chembl_id": "CHEMBL441472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCTC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.522", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958077", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALLYL ISOTHIOCYANATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958077, "molecule_chembl_id": "CHEMBL233248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "99.16", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLYL ISOTHIOCYANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN=C=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962240", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMONAFIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962240, "molecule_chembl_id": "CHEMBL428676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amonafide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962682", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREGABALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962682, "molecule_chembl_id": "CHEMBL1059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREGABALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](CN)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958866", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958866, "molecule_chembl_id": "CHEMBL480718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fadrozole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc([C@H]2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150367", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZAGREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150367, "molecule_chembl_id": "CHEMBL11662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ozagrel sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150372", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150372, "molecule_chembl_id": "CHEMBL1618018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Homatropine Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150380", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150380, "molecule_chembl_id": "CHEMBL363211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.40", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956756", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIOSMETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956756, "molecule_chembl_id": "CHEMBL90568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIOSMETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957438", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957438, "molecule_chembl_id": "CHEMBL2048872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957138", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957138, "molecule_chembl_id": "CHEMBL1371156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL 54443"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(O)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963434", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963434, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORATADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958060", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958060, "molecule_chembl_id": "CHEMBL10835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.03", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962520", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962520, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZTREONAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961822", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERCIRNON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961822, "molecule_chembl_id": "CHEMBL2178578", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.94", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vercirnon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827618", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICYCLOMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827618, "molecule_chembl_id": "CHEMBL1200479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.96", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dicyclomine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827619", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827619, "molecule_chembl_id": "CHEMBL1718204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amyleine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03521", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(CN(C)C)OC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832324", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANITIOLIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832324, "molecule_chembl_id": "CHEMBL1380480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANITIOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831646", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831646, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT-7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827622", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFENAMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827622, "molecule_chembl_id": "CHEMBL686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefenamic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09462", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832330", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832330, "molecule_chembl_id": "CHEMBL2028393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.08", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID554254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C(Br)=C/C(=O)[O-])cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831598", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIIB021", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831598, "molecule_chembl_id": "CHEMBL467399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.77", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BIIB021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831392", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROPALMATINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831392, "molecule_chembl_id": "CHEMBL487182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.43", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ROTUNDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831608", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831608, "molecule_chembl_id": "CHEMBL525239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.25", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZEATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\CNc1ncnc2[nH]cnc12)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836267", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUACETISAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836267, "molecule_chembl_id": "CHEMBL2105097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guacetisal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1414", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)c1ccccc1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836485", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMITRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836485, "molecule_chembl_id": "CHEMBL1183717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.56", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "almitrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836492", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (-0.049434901,-0.054835276)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELOTRISTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836492, "molecule_chembl_id": "CHEMBL2103855", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.94", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Telotristat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05214", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828112", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMOSALATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828112, "molecule_chembl_id": "CHEMBL1377575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.35", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Homosalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEXENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832737, "molecule_chembl_id": "CHEMBL1898387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEXENEONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828120", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEROPENEM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828120, "molecule_chembl_id": "CHEMBL127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Meropenem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832825", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPRAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832825, "molecule_chembl_id": "CHEMBL2028019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARIPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828121", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMIPRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828121, "molecule_chembl_id": "CHEMBL1168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.52", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ramipril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827613", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827613, "molecule_chembl_id": "CHEMBL4303510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.07", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betazole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03591", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCc1cc[nH]n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836289", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDACLOPRID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836289, "molecule_chembl_id": "CHEMBL406819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.66", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.158", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830935", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANASTROZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830935, "molecule_chembl_id": "CHEMBL1399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANASTROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831635", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYL VANILLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831635, "molecule_chembl_id": "CHEMBL508676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL VANILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836295", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURATEL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836295, "molecule_chembl_id": "CHEMBL514315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.28", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "inimur"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831425", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROSPINGOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831425, "molecule_chembl_id": "CHEMBL448741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.52", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIHYDROSPHINGOSINE, D-ERYTHRO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832019", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPIRAMIDE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832019, "molecule_chembl_id": "CHEMBL1200672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "634.63", "alogp": "0.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFPIRAMIDE (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836014", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THONZONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836014, "molecule_chembl_id": "CHEMBL1201322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.82", "alogp": "8.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Thonzonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832708", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASIGLIFAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832708, "molecule_chembl_id": "CHEMBL1829174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.64", "alogp": "5.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TAK-875"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832637", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832637, "molecule_chembl_id": "CHEMBL1709719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.27", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKA-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ccc3ccccc32)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832837", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832837, "molecule_chembl_id": "CHEMBL2037226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.50", "alogp": "7.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-5837"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832850", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMOXIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832850, "molecule_chembl_id": "CHEMBL2051959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.82", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOMOXIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832366", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832366, "molecule_chembl_id": "CHEMBL1417849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.57", "alogp": "-0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACIVICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)[C@@H]1CC(Cl)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827654", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827654, "molecule_chembl_id": "CHEMBL1718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naloxone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832598", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832598, "molecule_chembl_id": "CHEMBL3181841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RAMOSETRON (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827894", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTETAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827894, "molecule_chembl_id": "CHEMBL474579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.63", "alogp": "-1.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefotetan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827633", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827633, "molecule_chembl_id": "CHEMBL1200964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amitryptiline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827642", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827642, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amidopyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1753", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839014", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839014, "molecule_chembl_id": "CHEMBL222301", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-PPCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.398", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839018", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "AGONIST/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839018, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "315.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827386", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "EMETINE DIHYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827386, "molecule_chembl_id": "CHEMBL1255782", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "535.13", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emetine Dihydrochloride Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "390.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832090", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROXICAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832090, "molecule_chembl_id": "CHEMBL1213420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DROXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832091", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIVINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832091, "molecule_chembl_id": "CHEMBL1213492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ITF2357 (GIVINOSTAT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832924", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISOCTRIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832924, "molecule_chembl_id": "CHEMBL2104957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "658.89", "alogp": "9.58", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BISOCTRIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832925", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIRATEGRAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832925, "molecule_chembl_id": "CHEMBL2104967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.51", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FIRATEGRAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827690", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURANTOIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827690, "molecule_chembl_id": "CHEMBL572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.16", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitrofurantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827493", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPSAPIRONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827493, "molecule_chembl_id": "CHEMBL8412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.49", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipsapirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05786", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832568", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832568, "molecule_chembl_id": "CHEMBL1620289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.37", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML133 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNCc2cccc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832780", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832780, "molecule_chembl_id": "CHEMBL1966136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.16", "alogp": "8.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NSC636819"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)c(Cl)c2)cc1/C=C/c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832781", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832781, "molecule_chembl_id": "CHEMBL1966403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.75", "alogp": "2.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ROSAMICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)/C=C/C2(C)OC2C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836422", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFORANIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836422, "molecule_chembl_id": "CHEMBL1201046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "-0.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ceforanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2346", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827197", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.35", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827197, "molecule_chembl_id": "CHEMBL4303716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Isopomiferin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4510.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831755", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2334737", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831755, "molecule_chembl_id": "CHEMBL577711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.40", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2334737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832352", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832352, "molecule_chembl_id": "CHEMBL1409793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROXOQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828147", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828147, "molecule_chembl_id": "CHEMBL106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.28", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827293", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827293, "molecule_chembl_id": "CHEMBL4303716", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Isopomiferin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831907, "molecule_chembl_id": "CHEMBL1161894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.38", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D609"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(S)OC1CC2CC1C1CCCC21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831674", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILPATEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831674, "molecule_chembl_id": "CHEMBL513390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.79", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZILPATEROL.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838713", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST CELLS INFECTED GOES UP TO 200%", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838713, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.604", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836552", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.211248858,-0.001805985)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836552, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1047", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838867", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838867, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2864.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838721", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "6.30", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838721, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "501.19", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.49", "sei": "22.37", "bei": "19.69", "le": "0.39"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838724", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2c adrenergic receptor", "pchembl_value": "5.00", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303088", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1916", "activity_id": 18838724, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.19", "sei": "17.76", "bei": "15.63", "le": "0.31"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833081, "molecule_chembl_id": "CHEMBL2177380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.01", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPATASERTIB (GDC-0068)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@@H]3O)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828360", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOVERSOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828360, "molecule_chembl_id": "CHEMBL1200614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "807.11", "alogp": "-2.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ioversol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827884", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827884, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefixime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01696", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828101", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORINOSTAT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828101, "molecule_chembl_id": "CHEMBL98", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORINOSTAT (SAHA, MK0683)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828005", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMIFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828005, "molecule_chembl_id": "CHEMBL1200621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.49", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemifloxacin mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832645", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832645, "molecule_chembl_id": "CHEMBL1723412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRICAPIRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839011", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839011, "molecule_chembl_id": "CHEMBL222301", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-PPCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.773", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832148", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832148, "molecule_chembl_id": "CHEMBL1233448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.69", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BOCEPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832365", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832365, "molecule_chembl_id": "CHEMBL1416993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "4.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FK-888"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827447", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827447, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832172", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832172, "molecule_chembl_id": "CHEMBL1236602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIS-UROCANIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827469", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827469, "molecule_chembl_id": "CHEMBL1435413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinidine hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832929", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDRAMANTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832929, "molecule_chembl_id": "CHEMBL2105062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDRAMANTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC3CC1CC(O)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832777", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGOBUVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832777, "molecule_chembl_id": "CHEMBL1957287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "TEGOBUVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832084", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYNASORE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832084, "molecule_chembl_id": "CHEMBL1209885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.32", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DYNASORE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827388", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827388, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30330.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827577", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827577, "molecule_chembl_id": "CHEMBL1703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.63", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.00269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)N=C(N)N.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832281", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832281, "molecule_chembl_id": "CHEMBL1336727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOTHIXENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832284", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832284, "molecule_chembl_id": "CHEMBL1340458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.22", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SAL003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827584", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827584, "molecule_chembl_id": "CHEMBL4303230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Benzonatate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832417", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832417, "molecule_chembl_id": "CHEMBL1474517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.11", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SELENOMETHIONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[Se]CCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832419", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832419, "molecule_chembl_id": "CHEMBL1436121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.72", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OLPRINONE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838903", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838903, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olanzapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18197.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838907", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "PARITAL INHIBITION VIRAL INHIBITION GOES DOWN TO 50%", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838907, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.78", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828400", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828400, "molecule_chembl_id": "CHEMBL4303383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.43", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pinaverium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07838", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(C[N+]2(CCOCCC3CC[C@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827255", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OSAJIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827255, "molecule_chembl_id": "CHEMBL238188", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Osajin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11440.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827514", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827514, "molecule_chembl_id": "CHEMBL4303558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.69", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aceclidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC1CN2CCC1CC2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832225", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832225, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MIFEPRISTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832231", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832231, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVODROPROPIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832236", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832236, "molecule_chembl_id": "CHEMBL1900758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.88", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GRANISETRON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828335", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOPROPAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828335, "molecule_chembl_id": "CHEMBL1200970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.94", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ethopropazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4567", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833724", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833724, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "AURANOFIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832462", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832462, "molecule_chembl_id": "CHEMBL1516068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPERASTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@@H](OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828699", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828699, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sofalcone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7778", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832497", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832497, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FUDOSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832504", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832504, "molecule_chembl_id": "CHEMBL1563246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STETADERM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828590", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRILAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828590, "molecule_chembl_id": "CHEMBL1201006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrilamine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1616", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828614", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIKETHAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828614, "molecule_chembl_id": "CHEMBL2104607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nikethamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828904", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828904, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pirfenidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832940", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMOXOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832940, "molecule_chembl_id": "CHEMBL2105399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAMOXOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828908", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828908, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bosutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832665", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BILASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832665, "molecule_chembl_id": "CHEMBL1742423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.62", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BILASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828245", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828245, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Thimerosal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2722", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833623", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMPROFAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833623, "molecule_chembl_id": "CHEMBL1475693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.53", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FAMPROFAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828248", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPHOSPHAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828248, "molecule_chembl_id": "CHEMBL88", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclophosphamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(N(CCCl)CCCl)NCCCO1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828225", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828225, "molecule_chembl_id": "CHEMBL4303174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.13", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Risedronic acid monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828438", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOLAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828438, "molecule_chembl_id": "CHEMBL878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metolazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829197", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829197, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150357", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTIRATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150357, "molecule_chembl_id": "CHEMBL3545365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.47", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Altiratinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957754", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAROXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957754, "molecule_chembl_id": "CHEMBL490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.37", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "[3H]PAROXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957756", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOLDOPAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957756, "molecule_chembl_id": "CHEMBL588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.76", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-SKF-82526"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957032", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISPINESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957032, "molecule_chembl_id": "CHEMBL228814", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ISPINESIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961789", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARSENIC TRIOXIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961789, "molecule_chembl_id": "CHEMBL2362016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.68", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ATO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O1[As]2O[As]3O[As]1O[As](O2)O3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957205", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957205, "molecule_chembl_id": "CHEMBL576786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.49", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JZL184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957206", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINBLASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957206, "molecule_chembl_id": "CHEMBL159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "810.99", "alogp": "3.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vinblastine sulfate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957417", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOXIMETASONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957417, "molecule_chembl_id": "CHEMBL1766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESOXIMETASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957211", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2811376", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957211, "molecule_chembl_id": "CHEMBL2333941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2811376"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957421", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957421, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CX-4945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957146", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957146, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOPIRAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962029", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962029, "molecule_chembl_id": "CHEMBL200381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.84", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-S-7006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.132", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836192", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPELENNAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836192, "molecule_chembl_id": "CHEMBL1241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.37", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tripelennamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccccc1)c1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831325", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(PHTHALOCYANINATO)ZINC(II)", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831325, "molecule_chembl_id": "CHEMBL2373172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.93", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CIAFTALAN-ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[Zn+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836202", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTARABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836202, "molecule_chembl_id": "CHEMBL803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cytarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831331", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831331, "molecule_chembl_id": "CHEMBL1201041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.48", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZLOCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836203", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANAZOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836203, "molecule_chembl_id": "CHEMBL1479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "danazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2899", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836404", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836404, "molecule_chembl_id": "CHEMBL817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolazamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836406", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836406, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "Ebselen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836408", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACCHARIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836408, "molecule_chembl_id": "CHEMBL310671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.19", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Saccharin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1191", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NS(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831389, "molecule_chembl_id": "CHEMBL410295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.64", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-S-7003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n2c3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831390", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAURURSODIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831390, "molecule_chembl_id": "CHEMBL272427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.71", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAUROURSODEOXY CHOLIC ACID DIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839051", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839051, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tomivosertib (eFT-508)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.26", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827406", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303832", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827406, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307388", "assay_cell_type": "BSC-1", "assay_organism": "Chlorocebus aethiops", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of SARS spike protein-mediated cell fusion using BlaM pseudovirus assay system in BSC1 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836313", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGININE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836313, "molecule_chembl_id": "CHEMBL1485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Arginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2007", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831442", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-5438", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831442, "molecule_chembl_id": "CHEMBL488436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-5438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831498", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-406", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831498, "molecule_chembl_id": "CHEMBL475251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.46", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R406(FREE BASE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827411", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827411, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831640", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831640, "molecule_chembl_id": "CHEMBL483091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-ISOPROPYLISOTHIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)SC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827346", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "EMETINE DIHYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827346, "molecule_chembl_id": "CHEMBL1255782", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "535.13", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emetine Dihydrochloride Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "390.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831799", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "A-317491", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831799, "molecule_chembl_id": "CHEMBL596234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.58", "alogp": "6.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-317491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838677", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APICIDIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838677, "molecule_chembl_id": "CHEMBL430060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.80", "alogp": "3.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Apicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839001", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RIMCAZOLE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839001, "molecule_chembl_id": "CHEMBL275707", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "321.47", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "215.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836382", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONOCTANOIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836382, "molecule_chembl_id": "CHEMBL3301678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "901.23", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "monoctanoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC.CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO.OCC(O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835970", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAROPENEM MEDOXOMIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835970, "molecule_chembl_id": "CHEMBL1257070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.41", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "faropenem-medoxomil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.000691", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836159", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERAMIVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836159, "molecule_chembl_id": "CHEMBL139367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Peramivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836160", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENAZOPYRIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836160, "molecule_chembl_id": "CHEMBL1242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenazopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831606", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALMAPIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831606, "molecule_chembl_id": "CHEMBL514201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.01", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836479", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836479, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclocarban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4616", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831611", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANOBINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831611, "molecule_chembl_id": "CHEMBL483254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PANOBINOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831397", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPOXUR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831397, "molecule_chembl_id": "CHEMBL446060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPOXUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccccc1OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831619", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBIDECARENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831619, "molecule_chembl_id": "CHEMBL454801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "863.36", "alogp": "17.85", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "COENZYME-Q10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831407", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-CARYOPHYLLENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831407, "molecule_chembl_id": "CHEMBL445740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "G-CARYOPHYLLENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC/C=C(\\C)CC[C@@H]2[C@@H]1CC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150377", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENZEPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150377, "molecule_chembl_id": "CHEMBL1531864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.33", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRENZEPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957415", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957415, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957212", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORTICOSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957212, "molecule_chembl_id": "CHEMBL110739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CORTICOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961815", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENCICLOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961815, "molecule_chembl_id": "CHEMBL1540", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENCICLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962036", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELIRAGON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962036, "molecule_chembl_id": "CHEMBL3989929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.13", "alogp": "8.44", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Azeliragon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957445", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GDC-0152", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957445, "molecule_chembl_id": "CHEMBL2063869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.65", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963621", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963621, "molecule_chembl_id": "CHEMBL2419706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.59", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TNKS656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962297", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VILAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962297, "molecule_chembl_id": "CHEMBL1615374", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.00", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962563", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962563, "molecule_chembl_id": "CHEMBL181633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.37", "alogp": "4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-630; Iodopravadoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962471", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962471, "molecule_chembl_id": "CHEMBL4303397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BYK-204165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cccc1/C=C1\\C(=O)NC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962391", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENTIAN VIOLET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962391, "molecule_chembl_id": "CHEMBL64894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.99", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GENTIAN VIOLET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962118", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HELENINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962118, "molecule_chembl_id": "CHEMBL136356", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.32", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alantolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958151", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CITROPTEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958151, "molecule_chembl_id": "CHEMBL481049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.20", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CITROPTEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2ccc(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956896", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956896, "molecule_chembl_id": "CHEMBL3633459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.36", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06281355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957985", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMAPRIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957985, "molecule_chembl_id": "CHEMBL12344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "161.27", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMAPRIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957451", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957451, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957234", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROLIPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957234, "molecule_chembl_id": "CHEMBL63", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ROLIPRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961838", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961838, "molecule_chembl_id": "CHEMBL2204239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.48", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961959", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961959, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.672", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957616", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957616, "molecule_chembl_id": "CHEMBL4303318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SIMEPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@H]3CC4C(=O)N(C)CCCC/C=C\\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957618", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UPROSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957618, "molecule_chembl_id": "CHEMBL3137336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.25", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "UPROSERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957508", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIOSCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957508, "molecule_chembl_id": "CHEMBL507001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "869.06", "alogp": "1.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIOSCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957626", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957626, "molecule_chembl_id": "CHEMBL3577124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.52", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY3009120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957627", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957627, "molecule_chembl_id": "CHEMBL1703636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962228", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962228, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962116", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINALUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962116, "molecule_chembl_id": "CHEMBL283754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.56", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cinalukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-37.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832331", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832331, "molecule_chembl_id": "CHEMBL1394757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOGLUTETHIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-29.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832334", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832334, "molecule_chembl_id": "CHEMBL1397270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.25", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-08-2750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827638", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FULVESTRANT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827638, "molecule_chembl_id": "CHEMBL1358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.78", "alogp": "8.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Fulvestrant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.187", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N6022", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832651, "molecule_chembl_id": "CHEMBL1738699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "N6022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KAEMPFEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150035, "molecule_chembl_id": "CHEMBL150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963166", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROXYFAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963166, "molecule_chembl_id": "CHEMBL19173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.28", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "proxyfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(COCCCc2c[nH]cn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154324", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.28", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154324, "molecule_chembl_id": "CHEMBL3393171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thienopyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5260.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150014", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFLUMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150014, "molecule_chembl_id": "CHEMBL193240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.21", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROFLUMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154585", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METOPRINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154585, "molecule_chembl_id": "CHEMBL264373", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoprine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154587", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154587, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.06", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149811", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149811, "molecule_chembl_id": "CHEMBL4303198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.35", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-Ras(G12C) inhibitor 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCS)NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956954", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956954, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GRAZOPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-57.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956968", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENOSINE DIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956968, "molecule_chembl_id": "CHEMBL14830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.20", "alogp": "-1.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ADP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961933", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THEOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961933, "molecule_chembl_id": "CHEMBL1318939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.85", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etofylline-clofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957170", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIPROXIFAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957170, "molecule_chembl_id": "CHEMBL14638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.33", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ciproxifan maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958066", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958066, "molecule_chembl_id": "CHEMBL1426312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.30", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629234"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1COC(=O)CCOc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958044", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958044, "molecule_chembl_id": "CHEMBL193872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.57", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD011561"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958071", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958071, "molecule_chembl_id": "CHEMBL1583361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.32", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=O)OCC(=O)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958124", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958124, "molecule_chembl_id": "CHEMBL1325250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.93", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958499", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958499, "molecule_chembl_id": "CHEMBL4588354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.25", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NCS-382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C1/CCCc2ccccc2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956655", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956655, "molecule_chembl_id": "CHEMBL3335794", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "649.63", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2837808A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(C(=O)O)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963012", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXAMINOLEVULINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963012, "molecule_chembl_id": "CHEMBL1201785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.75", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hexaminolevulinate (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)CCC(=O)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958479", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958479, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962731", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962731, "molecule_chembl_id": "CHEMBL259850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-A014418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958134", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958134, "molecule_chembl_id": "CHEMBL1303930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-322683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962030", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALACEPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962030, "molecule_chembl_id": "CHEMBL2103775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.50", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alacepril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961710", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCINYLCHOLINE CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961710, "molecule_chembl_id": "CHEMBL983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.31", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "succinylcholine-chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961711", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961711, "molecule_chembl_id": "CHEMBL4303676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1046.20", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Angiotensin II human"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961739", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961739, "molecule_chembl_id": "CHEMBL4303547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.44", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-3230"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.041", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956709", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956709, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PONATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-35.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961740", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961740, "molecule_chembl_id": "CHEMBL1443163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.37", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "o-3M3FBS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958618", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRILOSTANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958618, "molecule_chembl_id": "CHEMBL1200907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trilostane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962881", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FALNIDAMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962881, "molecule_chembl_id": "CHEMBL258940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.85", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BIBX-1382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958979", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958979, "molecule_chembl_id": "CHEMBL4303257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.46", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-{[2-(Hydroxymethyl)-2-phenylbutanoyl]oxy}-8;8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CO)(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962889", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEMPIDINE TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962889, "molecule_chembl_id": "CHEMBL1256139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEMPIDINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C)(C)CCCC1(C)C.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962891", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DULOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962891, "molecule_chembl_id": "CHEMBL1200328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.88", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DULOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.917", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961811", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMFENAC SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961811, "molecule_chembl_id": "CHEMBL751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.15", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromfenac Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.246", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961814", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961814, "molecule_chembl_id": "CHEMBL1256874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.50", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMRICASAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956758, "molecule_chembl_id": "CHEMBL197672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.51", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "EMRICASAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957049", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957049, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYL NICOTINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963616", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRINABEREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963616, "molecule_chembl_id": "CHEMBL450940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.25", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Prinaberel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-31.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963617", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963617, "molecule_chembl_id": "CHEMBL1394514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-CCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.335", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150157", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150157, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artesunate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150047", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150047, "molecule_chembl_id": "CHEMBL406845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.78", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150172", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150172, "molecule_chembl_id": "CHEMBL1086580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.32", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XAV-939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150070", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150070, "molecule_chembl_id": "CHEMBL3752911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154477", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154477, "molecule_chembl_id": "CHEMBL261641", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "568.10", "alogp": "3.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SU11274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10420.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154308", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.10", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154308, "molecule_chembl_id": "CHEMBL245839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.83", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962948", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962948, "molecule_chembl_id": "CHEMBL1235103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.43", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PPY-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962743", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962743, "molecule_chembl_id": "CHEMBL1395823", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.37", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS-20625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc3c4c([nH]cc-3c2=O)CCCCC4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962325", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962325, "molecule_chembl_id": "CHEMBL2443044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.44", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NMS-E973"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962335", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIIODOPHENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962335, "molecule_chembl_id": "CHEMBL81721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.80", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962436", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962436, "molecule_chembl_id": "CHEMBL2144409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962342, "molecule_chembl_id": "CHEMBL2140523", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.56", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SR-2640", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962516, "molecule_chembl_id": "CHEMBL18132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-2640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957742", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957742, "molecule_chembl_id": "CHEMBL517986", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.77", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EIPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956971", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956971, "molecule_chembl_id": "CHEMBL3586089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.57", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962992", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURMORPHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962992, "molecule_chembl_id": "CHEMBL1221984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.64", "alogp": "6.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Purmorphamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.939", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958748", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MILNACIPRAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958748, "molecule_chembl_id": "CHEMBL4297064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.81", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILNACIPRAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.902", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962284", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIAPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962284, "molecule_chembl_id": "CHEMBL1256772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TIAPRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962022", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERYTHROMYCIN ETHYLSUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962022, "molecule_chembl_id": "CHEMBL1200688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "862.06", "alogp": "2.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ETHYLSUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958305", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958305, "molecule_chembl_id": "CHEMBL1271117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML094"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962500", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962500, "molecule_chembl_id": "CHEMBL1552895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.94", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958053", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMMEPIP", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958053, "molecule_chembl_id": "CHEMBL18661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMMEPIP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc(CC2CCNCC2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958372", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAPAVERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958372, "molecule_chembl_id": "CHEMBL19224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.39", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963069", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963069, "molecule_chembl_id": "CHEMBL3349370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "599.67", "alogp": "5.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XL765"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957161", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DABIGATRAN ETEXILATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957161, "molecule_chembl_id": "CHEMBL539697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "627.75", "alogp": "5.60", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DABIGATRAN ETEXILATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)/N=C(\\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(-)-ROLIPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963081, "molecule_chembl_id": "CHEMBL430893", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rolipram-R(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958975", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958975, "molecule_chembl_id": "CHEMBL3039470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "656.66", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TENIPOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)OC5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958283", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958283, "molecule_chembl_id": "CHEMBL1391203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.91", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-381509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963310", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOSALICYLATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963310, "molecule_chembl_id": "CHEMBL2096646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.15", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOSALICYLATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956665", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALANGIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956665, "molecule_chembl_id": "CHEMBL309490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GALANGIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963598", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CABERGOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963598, "molecule_chembl_id": "CHEMBL1201087", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cabergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962666", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962666, "molecule_chembl_id": "CHEMBL1078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fluvastatin sodium (Lescol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957333", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-1070916", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957333, "molecule_chembl_id": "CHEMBL1090479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.64", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK1070916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-41.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150369", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFEROXAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150369, "molecule_chembl_id": "CHEMBL556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.69", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DEFEROXAMINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963139", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOTRETINOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963139, "molecule_chembl_id": "CHEMBL547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ISOTRETINON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958233", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958233, "molecule_chembl_id": "CHEMBL274619", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958257", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958257, "molecule_chembl_id": "CHEMBL1612112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.62", "alogp": "4.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD086028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832071", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-156707 SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832071, "molecule_chembl_id": "CHEMBL25438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.49", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-156707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\\C(=O)[O-])c2ccc3c(c2)OCO3)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839027", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839027, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1428.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839035", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE IC50 == CC50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839035, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Silmitasertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.043", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832089", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COENZYME_A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832089, "molecule_chembl_id": "CHEMBL1213327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "767.54", "alogp": "-1.67", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "COENZYME-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834373", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834373, "molecule_chembl_id": "CHEMBL204240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.73", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMEPITOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(N2CCOCC2)CN1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834379", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834379, "molecule_chembl_id": "CHEMBL4303241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "559.62", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EMPESERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830081, "molecule_chembl_id": "CHEMBL60264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.36", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-258585"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829891", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXOTREMORINE METHIODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829891, "molecule_chembl_id": "CHEMBL23957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.19", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOTREMORINE-M"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC#CCN1CCCC1=O.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834604", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834604, "molecule_chembl_id": "CHEMBL4303677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "660.53", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AI-10-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832072", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832072, "molecule_chembl_id": "CHEMBL1204876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.83", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL316243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827441", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827441, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thiethylperazine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827191", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.16", "bao_label": "organism-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827191, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6920.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832092", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832092, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GESTODENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827392", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827392, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18530.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839042", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839042, "molecule_chembl_id": "CHEMBL4303784", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "776.03", "alogp": "1.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ternatin 4 (DA3)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.345", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C(=O)C(C(C)CC)NC(=O)C(C(O)C(C)C)NC(=O)C2CCCCN2C(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831380", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831380, "molecule_chembl_id": "CHEMBL408178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.52", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ST 2825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)Cc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)C(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831382", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831382, "molecule_chembl_id": "CHEMBL270948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.48", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP-376395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831525", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831525, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pictilisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827717", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLOFENAMATE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827717, "molecule_chembl_id": "CHEMBL1562610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Meclofenamic acid sodium salt monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827719", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOCLOPRAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827719, "molecule_chembl_id": "CHEMBL1256771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.26", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoclopramide monohydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827721", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827721, "molecule_chembl_id": "CHEMBL2105309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.40", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyrantel tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccs1.O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827813", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827813, "molecule_chembl_id": "CHEMBL1315633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.24", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adenosine 5'-monophosphate monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827731", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPICAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827731, "molecule_chembl_id": "CHEMBL1200604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tropicamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827837", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827837, "molecule_chembl_id": "CHEMBL4303678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "820.94", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxantel pamoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccc(O)c1.CN1CCCN=C1/C=C/c1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832547", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CC-401", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832547, "molecule_chembl_id": "CHEMBL1614713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.48", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828236", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828236, "molecule_chembl_id": "CHEMBL1496351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.45", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flupentixol dihydrochloride cis-(Z)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831086", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NCX-4016", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831086, "molecule_chembl_id": "CHEMBL374385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.28", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NO-ASA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830908", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830908, "molecule_chembl_id": "CHEMBL196677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULPIRIDE (S [-])"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831937", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUFLAVINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831937, "molecule_chembl_id": "CHEMBL354349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACRIFLAVINIUM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "74.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831429", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILNIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831429, "molecule_chembl_id": "CHEMBL452076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CILNIDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831335", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831335, "molecule_chembl_id": "CHEMBL406375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GTP-14564"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836211", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOXACILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836211, "molecule_chembl_id": "CHEMBL893", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dicloxacillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFIRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831342, "molecule_chembl_id": "CHEMBL260829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NEFIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831344", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZATHIOPRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831344, "molecule_chembl_id": "CHEMBL1542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZATHIOPRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831351", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIPLON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831351, "molecule_chembl_id": "CHEMBL262075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.44", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "INDIPLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831352", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILENGITIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831352, "molecule_chembl_id": "CHEMBL429876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.67", "alogp": "-2.18", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CILENGITIDE TRIFLUOROACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831356", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831356, "molecule_chembl_id": "CHEMBL255408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.87", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEIJIN-COMPOUND-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831359", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVIMOPAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831359, "molecule_chembl_id": "CHEMBL270190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.54", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALVIMOPAN (MONOHYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836231", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836231, "molecule_chembl_id": "CHEMBL896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.91", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hydroxyzine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.00308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836235", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIDAXOMICIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836235, "molecule_chembl_id": "CHEMBL1255800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1058.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Fidaxomicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\\C=C\\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836243", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLURANDRENOLIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836243, "molecule_chembl_id": "CHEMBL1201012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.52", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fludroxycortide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03434", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836306", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISTRADEFYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836306, "molecule_chembl_id": "CHEMBL431770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Istradefylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1372", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836307", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVABRADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836307, "molecule_chembl_id": "CHEMBL471737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ivabradine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831859", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VX-702", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831859, "molecule_chembl_id": "CHEMBL1090090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827410", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827410, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831502", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831502, "molecule_chembl_id": "CHEMBL522770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.37", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-706375"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827159", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.72", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827159, "molecule_chembl_id": "CHEMBL4303578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.52", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Z LVG CHN2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "190.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NCC(=O)C=[N+]=[N-])C(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831503", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831503, "molecule_chembl_id": "CHEMBL500272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "619.68", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-6471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N/C(C)=C\\C(=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836377", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTROPIPATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836377, "molecule_chembl_id": "CHEMBL1200980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.57", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "estropipate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831509", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESLANOSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831509, "molecule_chembl_id": "CHEMBL1614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "943.09", "alogp": "0.04", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "DESLANOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERICITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831737, "molecule_chembl_id": "CHEMBL562967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.42", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MERICITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838687", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838687, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838761", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838761, "molecule_chembl_id": "CHEMBL4303786", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "685.86", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Compound 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.054", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838763", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838763, "molecule_chembl_id": "CHEMBL4303786", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "685.86", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Compound 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "252.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838764", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838764, "molecule_chembl_id": "CHEMBL4303786", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "685.86", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Compound 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.18", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831825", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831825, "molecule_chembl_id": "CHEMBL606201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.46", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JZL-195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838696", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE CURVE DOESN'T SATURATE AT 20 UM", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838696, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.82", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831697", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831697, "molecule_chembl_id": "CHEMBL536151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.68", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IMD-0354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836336", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MACITENTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836336, "molecule_chembl_id": "CHEMBL2103873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.28", "alogp": "3.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Macitentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835967", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835967, "molecule_chembl_id": "CHEMBL312750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eupatilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2352", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-690693", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831516, "molecule_chembl_id": "CHEMBL494089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK690693"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831518", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORFENSON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831518, "molecule_chembl_id": "CHEMBL499017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.17", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORFENSON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836399", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.184237686,0.034174886)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXLANSOPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836399, "molecule_chembl_id": "CHEMBL1201863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexlansoprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832534", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832534, "molecule_chembl_id": "CHEMBL1604848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.49", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-63808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(/C=C(\\C#N)c3nc4ccccc4s3)c(Oc3ccc(F)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832437", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOYLPAS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832437, "molecule_chembl_id": "CHEMBL1487804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOYLPAS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827458", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827458, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thiethylperazine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832376", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832376, "molecule_chembl_id": "CHEMBL1435977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CIS-ACPD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1.N[C@]1(C(=O)O)CC[C@@H](C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832383", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832383, "molecule_chembl_id": "CHEMBL1441661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.47", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UCL-2077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827492", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIBENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827492, "molecule_chembl_id": "CHEMBL1087630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxibendazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830965", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830965, "molecule_chembl_id": "CHEMBL210846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.39", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU1545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830973", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISOFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830973, "molecule_chembl_id": "CHEMBL1411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(+/-)-LISOFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830982", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AN-2718", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830982, "molecule_chembl_id": "CHEMBL211538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.39", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "AN2718"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838887", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": "Outside typical range", "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838887, "molecule_chembl_id": "CHEMBL4226570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1002.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828880", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828880, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ethaverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828241", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828241, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "Ebselen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.271", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833620", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833620, "molecule_chembl_id": "CHEMBL3182074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BUPARVAQUONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833621", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETADEX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833621, "molecule_chembl_id": "CHEMBL415690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1134.99", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "BETA-CYCLODEXTRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832948", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LITRONESIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832948, "molecule_chembl_id": "CHEMBL2105661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.71", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LITRONESIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829232", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829232, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AGOMELATINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833597", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALOPRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833597, "molecule_chembl_id": "CHEMBL299233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALOPRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1(c2ccccc2)OC(C)(C)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828821", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLUNISAL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828821, "molecule_chembl_id": "CHEMBL898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.20", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diflunisal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.006632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833528", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833528, "molecule_chembl_id": "CHEMBL3909511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK503"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833531", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833531, "molecule_chembl_id": "CHEMBL3916849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.36", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX-912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962962", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962962, "molecule_chembl_id": "CHEMBL4068896", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.39", "alogp": "6.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BLU9931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145980", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145980, "molecule_chembl_id": "CHEMBL1201010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.49", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959595, "molecule_chembl_id": "CHEMBL388751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.64", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorphenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962863", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACTINOMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962863, "molecule_chembl_id": "CHEMBL1554", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1255.44", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DACTINOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.878", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961624", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFACTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961624, "molecule_chembl_id": "CHEMBL3137331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.50", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 2, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830951", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STOBADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830951, "molecule_chembl_id": "CHEMBL479176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.30", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STOBADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW9508", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830952, "molecule_chembl_id": "CHEMBL207881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-9508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831721", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROMETHYLTHIONINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831721, "molecule_chembl_id": "CHEMBL4297221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.63", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEUCOMETHYLENE BLUE (MESYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838747", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "7.60", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838747, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.12", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "2.50", "sei": "60.95", "bei": "22.10", "le": "0.43"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961497", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DITIOCARB SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961497, "molecule_chembl_id": "CHEMBL107217", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.27", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ditiocarb-sodium-trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)[S-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCLADESINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145595, "molecule_chembl_id": "CHEMBL485980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.39", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bucladesine (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964334", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.12", "bao_label": "assay format", "molecule_pref_name": "PX-12", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964334, "molecule_chembl_id": "CHEMBL406050", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.32", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PX-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7600.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CCC(C)SSc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963975", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963975, "molecule_chembl_id": "CHEMBL519344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetrabenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956252", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956252, "molecule_chembl_id": "CHEMBL91485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.34", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TR-14035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962595, "molecule_chembl_id": "CHEMBL472994", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.49", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GANT-58"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2sc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831648", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831648, "molecule_chembl_id": "CHEMBL463978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.97", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT 2733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146099", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146099, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ENILURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150556", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELNEPERIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150556, "molecule_chembl_id": "CHEMBL2016681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.46", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Velneperit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150706", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150706, "molecule_chembl_id": "CHEMBL125236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "andarine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146207", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146207, "molecule_chembl_id": "CHEMBL1766779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VE-821"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145606", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145606, "molecule_chembl_id": "CHEMBL4303694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-demethylantipyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146060", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146060, "molecule_chembl_id": "CHEMBL4569279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.32", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV011099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c/c(=N\\c2ccc3ccccc3c2)n2ncnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151073", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-SITOSTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151073, "molecule_chembl_id": "CHEMBL221542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.72", "alogp": "8.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "beta-Sitosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151084", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151084, "molecule_chembl_id": "CHEMBL50267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.06", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5;7-dichlorokynurenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150616", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150616, "molecule_chembl_id": "CHEMBL3356433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LX7101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146219", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DITOLYLGUANIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146219, "molecule_chembl_id": "CHEMBL282433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.32", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ditolylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=N)Nc1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146121", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBELINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146121, "molecule_chembl_id": "CHEMBL122270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Lobeline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150622", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINCAINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150622, "molecule_chembl_id": "CHEMBL1867802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pincainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150737, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tretazicar\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957623", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIRABRESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957623, "molecule_chembl_id": "CHEMBL3581647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OTX-015; 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964240", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.80", "bao_label": "assay format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964240, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959764", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRINIXIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959764, "molecule_chembl_id": "CHEMBL295416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.81", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirinixic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151016", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151016, "molecule_chembl_id": "CHEMBL525191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0879"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2ccc3c(c2)CC/C3=N\\O)c(-c2ccncc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964278", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.29", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964278, "molecule_chembl_id": "CHEMBL472940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IPA-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "510.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150487", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMARIXETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150487, "molecule_chembl_id": "CHEMBL226034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.27", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4'-O-methyl Quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958491", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958491, "molecule_chembl_id": "CHEMBL119171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963001", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963001, "molecule_chembl_id": "CHEMBL3353187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.87", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-2444697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959178", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959178, "molecule_chembl_id": "CHEMBL4303406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "537.64", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "ANTIMONY POTASSIUM TARTRATE TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958498", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958498, "molecule_chembl_id": "CHEMBL373937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.72", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4,5,6,7-Tetrabromobenzimidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(Br)c(Br)c2[nH]cnc2c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963176", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963176, "molecule_chembl_id": "CHEMBL576781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.68", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC0224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958415", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RANITIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958415, "molecule_chembl_id": "CHEMBL1790041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RANITIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963184", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOVERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963184, "molecule_chembl_id": "CHEMBL1512949", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.57", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "fenoverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959108", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959108, "molecule_chembl_id": "CHEMBL3039468", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.91", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYPROTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963805", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MERCAPTOPURINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963805, "molecule_chembl_id": "CHEMBL1425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.18", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MERCAPTOPURINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959477", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959477, "molecule_chembl_id": "CHEMBL4303616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.75", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-1423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959414", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LB-100", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959414, "molecule_chembl_id": "CHEMBL4297300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.31", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LB-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959355", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959355, "molecule_chembl_id": "CHEMBL4303335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.16", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-405020"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964393", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964393, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OLTIPRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959792", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-5190457", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959792, "molecule_chembl_id": "CHEMBL3287218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.68", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-05190457"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.649", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4cn5cc(C)sc5n4)CC3)C2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150552", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150552, "molecule_chembl_id": "CHEMBL104468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU 7026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151094", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151094, "molecule_chembl_id": "CHEMBL4447328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.50", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Btk inhibitor 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146389, "molecule_chembl_id": "CHEMBL3974629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.61", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mps1-IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146256", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146256, "molecule_chembl_id": "CHEMBL444236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.54", "alogp": "4.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1;2;3;4;5;6-hexabromocyclohexane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "BrC1C(Br)C(Br)C(Br)C(Br)C1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOGESTREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150758, "molecule_chembl_id": "CHEMBL1533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.48", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desogestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145596", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145596, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HEXACHLOROPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146257", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFLOXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146257, "molecule_chembl_id": "CHEMBL1349073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.33", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFLOXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832602", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832602, "molecule_chembl_id": "CHEMBL1650469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.12", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-FLUORO-DL-GLUTAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C[C@@H](F)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832718", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTRINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832718, "molecule_chembl_id": "CHEMBL1868702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GESTRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827943", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGNENOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827943, "molecule_chembl_id": "CHEMBL253363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pregnenolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.659", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832648", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIMERACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832648, "molecule_chembl_id": "CHEMBL1730601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GIMERACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832649", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832649, "molecule_chembl_id": "CHEMBL1732375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-218"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827947", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELEGILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827947, "molecule_chembl_id": "CHEMBL1200904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.75", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Selegiline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2358", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)[C@H](C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831661", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831661, "molecule_chembl_id": "CHEMBL458603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.75", "alogp": "6.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CITCO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828377", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUFENAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828377, "molecule_chembl_id": "CHEMBL341812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibufenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827680", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLAMINE TRIETHIODIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827680, "molecule_chembl_id": "CHEMBL1200993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "891.54", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Gallamine triethiodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832938", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMESTRIENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832938, "molecule_chembl_id": "CHEMBL2105394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "PROMESTRIENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828073", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828073, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zalcitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1721", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828074", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828074, "molecule_chembl_id": "CHEMBL1200432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.73", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyldopate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3778", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827324", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.50", "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827324, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827424", "_score": 6.448316, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827424, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1400000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831411", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENIPOSIDIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831411, "molecule_chembl_id": "CHEMBL460031", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.34", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GENIPOSIDIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831707", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831707, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836291", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.175268814,0.171397963)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836291, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836298", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOVERSOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836298, "molecule_chembl_id": "CHEMBL1200614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "807.11", "alogp": "-2.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ioversol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832016", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTACONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832016, "molecule_chembl_id": "CHEMBL1200725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.79", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SERTACONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832588", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOROPAFANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832588, "molecule_chembl_id": "CHEMBL1628662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.72", "alogp": "7.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FOROPAFANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(-c2csc(N(CCN(C)C)Cc3cccnc3)n2)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827885", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRIZAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827885, "molecule_chembl_id": "CHEMBL462394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "789.10", "alogp": "-0.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Metrizamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALGESTONE ACETOPHENIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832967, "molecule_chembl_id": "CHEMBL2105993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.60", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALGESTONE-ACETOPHENIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]12OC(C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832987", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXPRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832987, "molecule_chembl_id": "CHEMBL2107003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.58", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RU-28318"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832740", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832740, "molecule_chembl_id": "CHEMBL2360601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPERISONE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832821", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUBERMATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832821, "molecule_chembl_id": "CHEMBL2022968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.07", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "DUBERMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828122", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENYTOIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828122, "molecule_chembl_id": "CHEMBL861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mephenytoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)NC(=O)N(C)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832304", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832304, "molecule_chembl_id": "CHEMBL1256761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.08", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PALMITOYLCARNITINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838965", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838965, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pimozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "182.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827636", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHEMANIL METHYLSULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827636, "molecule_chembl_id": "CHEMBL1200880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.52", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphemanil methylsulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.005475", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827639", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827639, "molecule_chembl_id": "CHEMBL1874337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.66", "alogp": "-1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moroxidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)/N=C(\\N)N1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832343", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832343, "molecule_chembl_id": "CHEMBL1256663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY310762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832908", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRENALONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832908, "molecule_chembl_id": "CHEMBL2103996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADRENALONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828051", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828051, "molecule_chembl_id": "CHEMBL4303727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.64", "alogp": "-0.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Lymecycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(=O)NCNC(CCCCN)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832461", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMOCHLORCYCLIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832461, "molecule_chembl_id": "CHEMBL1515447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMOCHLORCYCLIZINE.2HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832355", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832355, "molecule_chembl_id": "CHEMBL1411333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.24", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838817", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M1", "pchembl_value": "4.81", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303090", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL216", "activity_id": 18838817, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15488.17", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.03", "sei": "9.94", "bei": "14.32", "le": "0.29"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831549", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831549, "molecule_chembl_id": "CHEMBL466517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-26990990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCc1csc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832835", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACRITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832835, "molecule_chembl_id": "CHEMBL2035187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pacritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828149", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESNA", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828149, "molecule_chembl_id": "CHEMBL975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-Mercaptoethanesulfonic acid sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCS.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832360", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832360, "molecule_chembl_id": "CHEMBL1413176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFENAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827444", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827444, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Dihydrochloride Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.97", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828214", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRILAT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828214, "molecule_chembl_id": "CHEMBL3989406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enalaprilat dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827605", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMTERENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827605, "molecule_chembl_id": "CHEMBL585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.27", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Triamterene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832316", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832316, "molecule_chembl_id": "CHEMBL1865834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.81", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRIBEDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833315", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILGOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833315, "molecule_chembl_id": "CHEMBL3301607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Filgotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154605", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GSK-369796", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154605, "molecule_chembl_id": "CHEMBL147806", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "N-tert-Butylisoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.62", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154626", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154626, "molecule_chembl_id": "CHEMBL245839", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "380.83", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.25", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150125", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRELADENANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150125, "molecule_chembl_id": "CHEMBL240624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.57", "alogp": "2.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Preladenant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827281", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CYCLOSPORINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827281, "molecule_chembl_id": "CHEMBL160", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cyclosporine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.59", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828177", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828177, "molecule_chembl_id": "CHEMBL295619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.41", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rufloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828183", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828183, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HEXACHLOROPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03245", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINACICLIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832894, "molecule_chembl_id": "CHEMBL2103840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.50", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dinaciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832839", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-7762", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832839, "molecule_chembl_id": "CHEMBL2041933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-7762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828136", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828136, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acetylcysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834574", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834574, "molecule_chembl_id": "CHEMBL4303209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.47", "alogp": "-1.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PAEONIFLORIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833139", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VISTUSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833139, "molecule_chembl_id": "CHEMBL2336325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD-2014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "112.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833925", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIMBAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833925, "molecule_chembl_id": "CHEMBL1437764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.77", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLIMBAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827570", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRANAFTATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827570, "molecule_chembl_id": "CHEMBL1591365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.44", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Liranaftate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832157", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832157, "molecule_chembl_id": "CHEMBL1234916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-ACETYL-L-SERINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827698", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHOXAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827698, "molecule_chembl_id": "CHEMBL443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.28", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfamethoxazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962929", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VIDARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962929, "molecule_chembl_id": "CHEMBL1090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VIDARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.763", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957238, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CRISABOROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957239", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCOPOLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957239, "molecule_chembl_id": "CHEMBL569713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.36", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "scopolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962315", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FASIGLIFAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962315, "molecule_chembl_id": "CHEMBL1829174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.64", "alogp": "5.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TAK-875"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957249", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENIPORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957249, "molecule_chembl_id": "CHEMBL64360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENIPORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961934", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961934, "molecule_chembl_id": "CHEMBL291157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1-Ethyl-4-oxo-7-(4-pyridyl)-1;4-dihydroquinoline-3-carboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957621", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIIB021", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957621, "molecule_chembl_id": "CHEMBL467399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.77", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BIIB021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961938", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961938, "molecule_chembl_id": "CHEMBL33884", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.51", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-113808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEMAGACESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957342, "molecule_chembl_id": "CHEMBL520733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMAGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962761", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBOXYAMIDOTRIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962761, "molecule_chembl_id": "CHEMBL95431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.68", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "carboxyamidotriazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956781", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DERACOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956781, "molecule_chembl_id": "CHEMBL28636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DERACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956782", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956782, "molecule_chembl_id": "CHEMBL4092990", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "691.62", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FIIN-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956784", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENELIGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956784, "molecule_chembl_id": "CHEMBL2147777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TENELIGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957093", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIPTOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957093, "molecule_chembl_id": "CHEMBL463763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIPTOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956791", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956791, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MUPIROCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOFENOPRIL CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961758, "molecule_chembl_id": "CHEMBL2105776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "897.19", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zofenopril (calcium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.577", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956880", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956880, "molecule_chembl_id": "CHEMBL1076555", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.79", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKI II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957530", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALMETEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957530, "molecule_chembl_id": "CHEMBL1263", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALMETEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957233", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957233, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962251", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962251, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOFAZIMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957293", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957293, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REPAGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957297", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIMONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957297, "molecule_chembl_id": "CHEMBL844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.14", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BRIMONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957358", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1R,2S-MILNACIPRAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957358, "molecule_chembl_id": "CHEMBL252923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MILNACIPRAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957313", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLASDEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957313, "molecule_chembl_id": "CHEMBL2043437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLASDEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957252", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GABAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957252, "molecule_chembl_id": "CHEMBL32503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.32", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961979", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961979, "molecule_chembl_id": "CHEMBL1206440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957325", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALIMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957325, "molecule_chembl_id": "CHEMBL2364626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.54", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "RALIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-46.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834381", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834381, "molecule_chembl_id": "CHEMBL4303612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ANACETRAPIB (MK-0859)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829682", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829682, "molecule_chembl_id": "CHEMBL1689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(CC2=NCCN2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834609", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834609, "molecule_chembl_id": "CHEMBL4303205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.43", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT-031374"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830161", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODOPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830161, "molecule_chembl_id": "CHEMBL1009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834493", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834493, "molecule_chembl_id": "CHEMBL4162576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.20", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0422288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833303", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTOSPLETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833303, "molecule_chembl_id": "CHEMBL3265032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ENTOSPLETINIB (GS-9973)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150101", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150101, "molecule_chembl_id": "CHEMBL116590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.44", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzatropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150120", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150120, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CHIR-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957694", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957694, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962393", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962393, "molecule_chembl_id": "CHEMBL1550996", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-methyllidocaine-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962989", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962989, "molecule_chembl_id": "CHEMBL1200339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.67", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-PHENYLEPHRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958389, "molecule_chembl_id": "CHEMBL242739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119301"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962047", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CP-339818", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962047, "molecule_chembl_id": "CHEMBL281622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.44", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-339818"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/N=c1\\ccn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957331", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANAGRELIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957331, "molecule_chembl_id": "CHEMBL760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.09", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANAGRELIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958291", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958291, "molecule_chembl_id": "CHEMBL303004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "116.21", "alogp": "0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,6-Diaminohexane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962198", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962198, "molecule_chembl_id": "CHEMBL3183703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MCC950"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957683", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOMIPRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957683, "molecule_chembl_id": "CHEMBL415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOMIPRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958406", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958406, "molecule_chembl_id": "CHEMBL4531203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.28", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYLISOTHIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSC(=N)N.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962689", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPIDACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962689, "molecule_chembl_id": "CHEMBL130880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.27", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipidacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3c1CCC3)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958409", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958409, "molecule_chembl_id": "CHEMBL1077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958412", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958412, "molecule_chembl_id": "CHEMBL1221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.76", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SULCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958327", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958327, "molecule_chembl_id": "CHEMBL4559687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "medroxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957323", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPELISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957323, "molecule_chembl_id": "CHEMBL2396661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962202", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962202, "molecule_chembl_id": "CHEMBL39878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.59", "alogp": "7.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-404"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957237", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957237, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG 900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961935", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHAPIRIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961935, "molecule_chembl_id": "CHEMBL1201043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.45", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEPHAPIRIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957346", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957346, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLCAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957347", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APREMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957347, "molecule_chembl_id": "CHEMBL514800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APREMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961948", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961948, "molecule_chembl_id": "CHEMBL1330764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.52", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-12935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962592", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DNQX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962592, "molecule_chembl_id": "CHEMBL155265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DNQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962501", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLUTAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962501, "molecule_chembl_id": "CHEMBL575060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-glutamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962632", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABAMETAPIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962632, "molecule_chembl_id": "CHEMBL2205807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.24", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "abametapir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.918", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(C)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962774", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DERACOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962774, "molecule_chembl_id": "CHEMBL28636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DERACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962976", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SNX 5422", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962976, "molecule_chembl_id": "CHEMBL1195136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.54", "alogp": "3.37", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04929113 (SNX-5422)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09082", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962792", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GDC-0152", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962792, "molecule_chembl_id": "CHEMBL2063869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.65", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957166", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957166, "molecule_chembl_id": "CHEMBL3186179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 344864 racemate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958037", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958037, "molecule_chembl_id": "CHEMBL1381392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.50", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-637658"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958073", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958073, "molecule_chembl_id": "CHEMBL1559414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-605471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958308", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958308, "molecule_chembl_id": "CHEMBL1301914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-304036"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(CSc2nc[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963130", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATIZORAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963130, "molecule_chembl_id": "CHEMBL1229569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.40", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "atizoram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.128", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963135", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REBASTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963135, "molecule_chembl_id": "CHEMBL1738757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.60", "alogp": "6.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DCC-2036 (Rebastinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.321", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958235", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARAMIPHEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958235, "molecule_chembl_id": "CHEMBL61946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARAMIPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831983", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831983, "molecule_chembl_id": "CHEMBL1200660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831989", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYROSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831989, "molecule_chembl_id": "CHEMBL1200862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METIROSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831991", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERFLUBRON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831991, "molecule_chembl_id": "CHEMBL1200866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.96", "alogp": "6.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1-BROMOPERFLUOROOCTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832877", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832877, "molecule_chembl_id": "CHEMBL2089255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.39", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-MPS1-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828180", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVASTIGMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828180, "molecule_chembl_id": "CHEMBL636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rivastigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828185", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828185, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Silodosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829333", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829333, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COLCHICINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828861", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPYRIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828861, "molecule_chembl_id": "CHEMBL700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.30", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfapyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09309", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828924", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828924, "molecule_chembl_id": "CHEMBL4303393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.67", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lobenzarit disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01526", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828994", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANOLAZINE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828994, "molecule_chembl_id": "CHEMBL1404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ranolazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827769", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPEXIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827769, "molecule_chembl_id": "CHEMBL1377408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fipexide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827583", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METICRANE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827583, "molecule_chembl_id": "CHEMBL1318341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meticrane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03039", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832243", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIPRILOSE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832243, "molecule_chembl_id": "CHEMBL1256946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.83", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMIPRILOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCO[C@H]1[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833304", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833304, "molecule_chembl_id": "CHEMBL3272561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1167.34", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ALARELIN (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828603", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828603, "molecule_chembl_id": "CHEMBL64195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.66", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Beclamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833489", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833489, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB-5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150106", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150106, "molecule_chembl_id": "CHEMBL526281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.38", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-582941"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958553", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIBENURON METHYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958553, "molecule_chembl_id": "CHEMBL1229780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.40", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIBENURON METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148268", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SGX-523", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148268, "molecule_chembl_id": "CHEMBL1236107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGX-523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150027", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150027, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150329", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150329, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHTHALYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962861", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962861, "molecule_chembl_id": "CHEMBL3991927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.48", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HMN-214"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958249", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958249, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gatifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145605", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APC-100", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145605, "molecule_chembl_id": "CHEMBL37676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.31", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APC-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958228", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958228, "molecule_chembl_id": "CHEMBL1333081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-225422"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828163", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828163, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6559", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828164", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VECURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828164, "molecule_chembl_id": "CHEMBL1200629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.74", "alogp": "5.97", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vecuronium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3483", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832874", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832874, "molecule_chembl_id": "CHEMBL2087361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.43", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Icotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828176", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828176, "molecule_chembl_id": "CHEMBL4303430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "804.89", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Formoterol fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832260", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832260, "molecule_chembl_id": "CHEMBL1327247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.46", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DH-97"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828192", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828192, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Troxipide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828196", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828196, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolcapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09274", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827569", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENTERMINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827569, "molecule_chembl_id": "CHEMBL3184799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.61", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mephentermine hemisulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1346", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834026", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CADRALAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834026, "molecule_chembl_id": "CHEMBL2106561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CADRALAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833687", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENALOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833687, "molecule_chembl_id": "CHEMBL127349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFENALOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833691", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROFENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833691, "molecule_chembl_id": "CHEMBL1368313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.93", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DROFENINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833143", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPRAGLURANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833143, "molecule_chembl_id": "CHEMBL2346738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.29", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DIPRAGLURANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828328", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILOXAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828328, "molecule_chembl_id": "CHEMBL2106483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.76", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Viloxazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCC1CNCCO1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832245", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANPIRTOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832245, "molecule_chembl_id": "CHEMBL1316374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.75", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANPIRTOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(SC2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832404", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROXOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832404, "molecule_chembl_id": "CHEMBL1454910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROXOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828001", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORGLUMIDE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828001, "molecule_chembl_id": "CHEMBL1255589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.40", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lorglumide sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5123", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828162", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSARTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828162, "molecule_chembl_id": "CHEMBL191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.92", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Losartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8591", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832555, "molecule_chembl_id": "CHEMBL1334895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.30", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-10-5824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827762", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827762, "molecule_chembl_id": "CHEMBL4303570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.78", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Homochlorcyclizine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832471", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFALENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832471, "molecule_chembl_id": "CHEMBL1525826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETOPYRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccnc1NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827770", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827770, "molecule_chembl_id": "CHEMBL1456312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.94", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diperodon hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9863", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832475", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832475, "molecule_chembl_id": "CHEMBL1526649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.69", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DROXINOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cl)ccc1OCCCC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832476", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832476, "molecule_chembl_id": "CHEMBL1527537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UC-112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827777", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBEVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827777, "molecule_chembl_id": "CHEMBL1446650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.02", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mebeverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827779", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827779, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Flunarizine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832484", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832484, "molecule_chembl_id": "CHEMBL1534501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAHYDROZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCC[C@@H]2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827784", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827784, "molecule_chembl_id": "CHEMBL2105615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.92", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Quinacrine dihydrochloride hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1724", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827786", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827786, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827788", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827788, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpropamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833418", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERESTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833418, "molecule_chembl_id": "CHEMBL3545307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.54", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "MERESTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833296", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833296, "molecule_chembl_id": "CHEMBL3259907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI 224436"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833297", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MBX-2982", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833297, "molecule_chembl_id": "CHEMBL3260505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.56", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MBX-2982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833495", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833495, "molecule_chembl_id": "CHEMBL3752151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NI-57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828797", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOROLAC TROMETHAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828797, "molecule_chembl_id": "CHEMBL1201124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ketorolac tromethamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4498", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828798", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLTHIONINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828798, "molecule_chembl_id": "CHEMBL405110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.86", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methylene blue"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957148", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WORTMANNIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957148, "molecule_chembl_id": "CHEMBL428496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WORTMANNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956991", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956991, "molecule_chembl_id": "CHEMBL573107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-D1870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956996", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956996, "molecule_chembl_id": "CHEMBL4557433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.38", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "atropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961661", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961661, "molecule_chembl_id": "CHEMBL4303612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Anacetrapib (MK-0859)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961762", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961762, "molecule_chembl_id": "CHEMBL3901007", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "549.42", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KML29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962794", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962794, "molecule_chembl_id": "CHEMBL1651524", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.47", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-3845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.802", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963454", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963454, "molecule_chembl_id": "CHEMBL333133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.20", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Phenoxypyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958072", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958072, "molecule_chembl_id": "CHEMBL1384140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.81", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-612763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1NC(=O)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958128", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958128, "molecule_chembl_id": "CHEMBL108660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958342, "molecule_chembl_id": "CHEMBL4579631", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORETHINDRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957639", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1400W", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957639, "molecule_chembl_id": "CHEMBL107251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "177.25", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1400W dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCc1cccc(CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962757", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962757, "molecule_chembl_id": "CHEMBL522502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.43", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QNZ (EVP4593)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.882", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958351", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958351, "molecule_chembl_id": "CHEMBL1608472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-308264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-237.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(N2C(=O)CC(Sc3nc[nH]n3)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962435", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962435, "molecule_chembl_id": "CHEMBL86313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.12", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-78608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCc1cc(Br)cc2nc(O)c(O)nc12)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957008", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957008, "molecule_chembl_id": "CHEMBL1564869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963613", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISONIAZID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963613, "molecule_chembl_id": "CHEMBL64", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PASINIAZID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957034", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957034, "molecule_chembl_id": "CHEMBL65", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMPTOTHECIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "106.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962908", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962908, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dichlorphenamide (Diclofenamide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962007", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KUROMANIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962007, "molecule_chembl_id": "CHEMBL257839", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.39", "alogp": "0.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Kuromanin (chloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.578", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957405", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENTOSPLETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957405, "molecule_chembl_id": "CHEMBL3265032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ENTOSPLETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962762", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPICILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962762, "molecule_chembl_id": "CHEMBL1200758", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ampicillin (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957041", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCINYLACETONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957041, "molecule_chembl_id": "CHEMBL222824", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCCINYLACETONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956967, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958879", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISAMOLTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958879, "molecule_chembl_id": "CHEMBL27077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isamoltane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccccc1-n1cccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962685", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962685, "molecule_chembl_id": "CHEMBL4296718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAZ2-ICR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.271", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963358", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOMEPIRAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963358, "molecule_chembl_id": "CHEMBL19490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.73", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOMEPIRAC SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963360", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963360, "molecule_chembl_id": "CHEMBL4303452", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.65", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "maxacalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[2H]C([2H])([2H])C(O)(CCO[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C)C([2H])([2H])[2H]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958098", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958098, "molecule_chembl_id": "CHEMBL1412640", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.26", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-631752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(=O)c1ccccc1)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963467", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PILSICAINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963467, "molecule_chembl_id": "CHEMBL163238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pilsicainide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958099", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958099, "molecule_chembl_id": "CHEMBL178090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 39a [PMID: 15634016]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccc(-c2cccnc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958967, "molecule_chembl_id": "CHEMBL4303468", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "585.66", "alogp": "-0.74", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "tigecycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.272", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957125", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOPROSTENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957125, "molecule_chembl_id": "CHEMBL37853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.92", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Cloprostenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962438", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MILCICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962438, "molecule_chembl_id": "CHEMBL564829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.59", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PHA-848125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962659", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962659, "molecule_chembl_id": "CHEMBL2322201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYR-41"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832233", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LENVATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832233, "molecule_chembl_id": "CHEMBL1289601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lenvatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828455", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828455, "molecule_chembl_id": "CHEMBL1528839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.73", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenformin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)NCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833026", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMEZINIUM METILSULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833026, "molecule_chembl_id": "CHEMBL2106667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.34", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMEZINIUM METHYL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831981", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831981, "molecule_chembl_id": "CHEMBL1200645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.54", "alogp": "1.10", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ETOPOSIDE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828324", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMONOMETHOXINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828324, "molecule_chembl_id": "CHEMBL462990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfamonomethoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827692", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENELZINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827692, "molecule_chembl_id": "CHEMBL1200895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenelzine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832396", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AKLOMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832396, "molecule_chembl_id": "CHEMBL1450565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.58", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AKLOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc([N+](=O)[O-])cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832408", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832408, "molecule_chembl_id": "CHEMBL1458713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.41", "alogp": "-1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOXYCYCLINE (HYCLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828791", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828791, "molecule_chembl_id": "CHEMBL1200950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.36", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clidinium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.329", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829665", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANERTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829665, "molecule_chembl_id": "CHEMBL31965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Canertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834570", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRODENAFIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834570, "molecule_chembl_id": "CHEMBL4297518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.68", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MIRODENAFIL (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829274", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829274, "molecule_chembl_id": "CHEMBL98", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORINOSTAT (SAHA, MK0683)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833975", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMONIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833975, "molecule_chembl_id": "CHEMBL58752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PIMONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833982", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833982, "molecule_chembl_id": "CHEMBL1625728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.80", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS-54505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832692", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHINIOFON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832692, "molecule_chembl_id": "CHEMBL2104146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.13", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHINIOFON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])O.O=S(=O)(O)c1cc(I)c(O)c2ncccc12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833017", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IGMESINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833017, "molecule_chembl_id": "CHEMBL2104866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.95", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IGMESINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827277", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827277, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cepharanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.18", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833027", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBROSPIDIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833027, "molecule_chembl_id": "CHEMBL2106677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.19", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,12-BIS(3-BROMOPROPANOYL)-3,12-DIAZA-6,9-DIAZONIADISPIRO[5.2.5.2]HEXADECANE DICHLORIDE DICHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCBr)N1CC[N+]2(CC1)CC[N+]1(CCN(C(=O)CCBr)CC1)CC2.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834366", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834366, "molecule_chembl_id": "CHEMBL4303567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CURCUMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@@H](C)CC[C@@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827999", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONOBENZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827999, "molecule_chembl_id": "CHEMBL1388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Monobenzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833519", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833519, "molecule_chembl_id": "CHEMBL3828009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.32", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2874455"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833521", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROTRECTINIB SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833521, "molecule_chembl_id": "CHEMBL3989939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.52", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAROTRECTINIB SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827502", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACAMPROSATE CALCIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827502, "molecule_chembl_id": "CHEMBL2068724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "-0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acamprosate calcium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09644", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833100", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833100, "molecule_chembl_id": "CHEMBL2204495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK2578215A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832711", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04620110", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832711, "molecule_chembl_id": "CHEMBL1835919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04620110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832600", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832600, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AC-480"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829868", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829868, "molecule_chembl_id": "CHEMBL858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.24", "alogp": "-2.07", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETHYLENEDIAMINE TETRACETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828937", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERINDOPRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828937, "molecule_chembl_id": "CHEMBL1581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.47", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Perindopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828740", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828740, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aripiprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833576", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833576, "molecule_chembl_id": "CHEMBL4087968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIDAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828874", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828874, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dichlorphenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2499", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828944", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828944, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NVP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828946", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINACRINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828946, "molecule_chembl_id": "CHEMBL43184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aminacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828878", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828878, "molecule_chembl_id": "CHEMBL1201041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.48", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azlocillin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01854", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833836", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTIBUFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833836, "molecule_chembl_id": "CHEMBL454450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.31", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTIBUFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)O)c1ccc(CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827254", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827254, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831961", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831961, "molecule_chembl_id": "CHEMBL1199540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.69", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALOFUGINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827518", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULMAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827518, "molecule_chembl_id": "CHEMBL286020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulmazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([S+](C)[O-])ccc1-c1nc2ccc[nH]c-2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832238, "molecule_chembl_id": "CHEMBL1310336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "5.57", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML-193"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828695", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICAGRELOR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828695, "molecule_chembl_id": "CHEMBL398435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ticagrelor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829227", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACLITAXEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829227, "molecule_chembl_id": "CHEMBL428647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "853.92", "alogp": "3.74", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Taxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829230", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829230, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HEXACHLOROPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828333", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENOXOLONE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828333, "molecule_chembl_id": "CHEMBL1697717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.73", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Carbenoxolone disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833718", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833718, "molecule_chembl_id": "CHEMBL493076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.37", "alogp": "3.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833727", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833727, "molecule_chembl_id": "CHEMBL4303653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "682.81", "alogp": "2.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "METHYLLYCACONITINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C2[C@H](OC)[C@](O)([C@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827766", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827766, "molecule_chembl_id": "CHEMBL1200798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.33", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trazodone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833423", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TXA127", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833423, "molecule_chembl_id": "CHEMBL3545347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "899.02", "alogp": "-1.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "ANGIOTENSIN (1-7)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828243", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILETAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828243, "molecule_chembl_id": "CHEMBL2105342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.80", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tiletamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1(c2cccs2)CCCCC1=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833130", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833130, "molecule_chembl_id": "CHEMBL2325503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.97", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "G007-LK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833021", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACOMITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833021, "molecule_chembl_id": "CHEMBL2110732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dacomitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833022", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEPANTRONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833022, "molecule_chembl_id": "CHEMBL2105734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.30", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "YM-155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832175", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832175, "molecule_chembl_id": "CHEMBL1236749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.26", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-AMINOPENICILLANIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832390", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832390, "molecule_chembl_id": "CHEMBL1446457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-05-2090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832597", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUMOSETRAG", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832597, "molecule_chembl_id": "CHEMBL1643880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.39", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PUMOSETRAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827899", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827899, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Closantel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833493", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833493, "molecule_chembl_id": "CHEMBL3752910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.49", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NVP-BHG712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833497", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833497, "molecule_chembl_id": "CHEMBL3770173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OF-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833509", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833509, "molecule_chembl_id": "CHEMBL3785668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.87", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BET-BAY 002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828429", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOBENZAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828429, "molecule_chembl_id": "CHEMBL1200887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.93", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimethobenzamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1352", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833692", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME AXETIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833692, "molecule_chembl_id": "CHEMBL1095930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.48", "alogp": "-0.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFUROXIME-AXETIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829191", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACARBAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829191, "molecule_chembl_id": "CHEMBL476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.19", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DACARBAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833152", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833152, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALUNISERTIB (LY2157299)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829199", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829199, "molecule_chembl_id": "CHEMBL483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.22", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TENOFOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829003", "_score": 6.448316, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829003, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolutegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829209", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829209, "molecule_chembl_id": "CHEMBL9843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-218795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154243", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154243, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fenretinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956106", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUBERMATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956106, "molecule_chembl_id": "CHEMBL2022968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.07", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TP-0903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956215", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956215, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOCARBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961165", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961165, "molecule_chembl_id": "CHEMBL3306873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INT-767"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCOS(=O)(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956113", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956113, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELBAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960902", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENSPIRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960902, "molecule_chembl_id": "CHEMBL1256849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.80", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENSPIRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960905", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DALTROBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960905, "molecule_chembl_id": "CHEMBL71685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.83", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "daltroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961279", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "YOHIMBINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961279, "molecule_chembl_id": "CHEMBL537669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.91", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "YOHIMBINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154202", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154202, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMODIAQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4070.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154204", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.05", "bao_label": "organism-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154204, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149708", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149708, "molecule_chembl_id": "CHEMBL3109630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-366"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149713", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149713, "molecule_chembl_id": "CHEMBL398567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.48", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154503", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154503, "molecule_chembl_id": "CHEMBL1254577", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "446.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0364739"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960426", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960426, "molecule_chembl_id": "CHEMBL3770903", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.56", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SirReal-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXPRAMIPEXOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955907, "molecule_chembl_id": "CHEMBL249420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(+)-R-Pramipexole dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H]1CCc2nc(N)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956016", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOXIGLUMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956016, "molecule_chembl_id": "CHEMBL206025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Loxiglumide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956020", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956020, "molecule_chembl_id": "CHEMBL4580937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.14", "alogp": "-3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-2000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960798", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960798, "molecule_chembl_id": "CHEMBL333081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY288513"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.258", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NN(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956026", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEBROFENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956026, "molecule_chembl_id": "CHEMBL1605443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.23", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mebrofenin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955933", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-571", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955933, "molecule_chembl_id": "CHEMBL15177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK-571"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955934", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REMACEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955934, "molecule_chembl_id": "CHEMBL25843", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Remacemide hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956035, "molecule_chembl_id": "CHEMBL358150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofibrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154667", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154667, "molecule_chembl_id": "CHEMBL601661", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "519.61", "alogp": "3.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-125132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154140", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154140, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149779", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149779, "molecule_chembl_id": "CHEMBL307261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTENIMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149983", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149983, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PALMIDROL [5mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955652", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOYL PEROXIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955652, "molecule_chembl_id": "CHEMBL1200370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzoyl peroxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960787", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960787, "molecule_chembl_id": "CHEMBL3334621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.53", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETP-46464"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960811", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960811, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Grazoprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150253", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDRYSONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150253, "molecule_chembl_id": "CHEMBL1201173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEDRYSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149688", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149688, "molecule_chembl_id": "CHEMBL3334989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMeOB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154191", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154191, "molecule_chembl_id": "CHEMBL3414623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.77", "alogp": "5.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LLY-507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149690", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149690, "molecule_chembl_id": "CHEMBL1335656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHAZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N=c1sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960944", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960944, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pleconaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960948", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960948, "molecule_chembl_id": "CHEMBL104264", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-89"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960880", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOYOCAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960880, "molecule_chembl_id": "CHEMBL99668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.27", "alogp": "-1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "toyocamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960883, "molecule_chembl_id": "CHEMBL3094387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.25", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-1078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956223", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956223, "molecule_chembl_id": "CHEMBL3819512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.36", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CXCR2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149910", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENELIGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149910, "molecule_chembl_id": "CHEMBL2147777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TENELIGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956183", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZIRITAXESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956183, "molecule_chembl_id": "CHEMBL3828074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "3.43", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GLPG1690"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956105", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FINASTERIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956105, "molecule_chembl_id": "CHEMBL710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.55", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "finasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956129", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MASLINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956129, "molecule_chembl_id": "CHEMBL201515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MASLINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961188", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961188, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACTARIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962756", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962756, "molecule_chembl_id": "CHEMBL1271047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93426"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956091", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TUCIDINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956091, "molecule_chembl_id": "CHEMBL3621988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Chidamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960868", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROBALZOTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960868, "molecule_chembl_id": "CHEMBL1628569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.39", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "robalzotan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960869", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960869, "molecule_chembl_id": "CHEMBL1093743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "trans-10;cis-12-Conjugated-linoleic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C=C\\CCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960874", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEUPROLIDE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960874, "molecule_chembl_id": "CHEMBL1200775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1269.47", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Leuprolide Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960054", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960054, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pelitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956162", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956162, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSU-03012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960939", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROMETHYLTHIONINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960939, "molecule_chembl_id": "CHEMBL4297221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.63", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Leucomethylene blue (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154039", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154039, "molecule_chembl_id": "CHEMBL1614712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.56", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-AEW541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154467", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154467, "molecule_chembl_id": "CHEMBL245839", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "380.83", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154475", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154475, "molecule_chembl_id": "CHEMBL4303221", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "429.55", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "StemRegenin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12630.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154537", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154537, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150002", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMAXANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150002, "molecule_chembl_id": "CHEMBL276711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "semaxanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154412", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154412, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150292", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPIROXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150292, "molecule_chembl_id": "CHEMBL1566249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampiroxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150301", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150301, "molecule_chembl_id": "CHEMBL433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.20", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALPROATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150302", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150302, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Eniluracil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150018", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIDOFOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150018, "molecule_chembl_id": "CHEMBL152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cidofovir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146111", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146111, "molecule_chembl_id": "CHEMBL1373467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.24", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diphencyprone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccccc2)c1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831777", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOXIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831777, "molecule_chembl_id": "CHEMBL571209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INDOXIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835879", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTETHINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835879, "molecule_chembl_id": "CHEMBL2104786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.73", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "D-Pantethine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0893", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835883", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835883, "molecule_chembl_id": "CHEMBL429910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dapagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839046", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "8.18", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839046, "molecule_chembl_id": "CHEMBL4303784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.03", "alogp": "1.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ternatin 4 (DA3)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C(=O)C(C(C)CC)NC(=O)C(C(O)C(C)C)NC(=O)C2CCCCN2C(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835888", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECOQUINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835888, "molecule_chembl_id": "CHEMBL416230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.55", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "decoquinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838896", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARITAL/INCONCLUSIVE PARTIAL INHIBITION, INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838896, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "238.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838813", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.17", "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838813, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "676.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832054", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832054, "molecule_chembl_id": "CHEMBL2359044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.94", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "METIXENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827357", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827357, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20510.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150733", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150733, "molecule_chembl_id": "CHEMBL290487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.70", "alogp": "-0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clomesone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CS(=O)(=O)OCCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961580", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961580, "molecule_chembl_id": "CHEMBL1669669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.39", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPPTB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961603", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALLAMINE TRIETHIODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961603, "molecule_chembl_id": "CHEMBL1200993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "891.54", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GALLAMINE TRIETHIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958432", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JUGLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958432, "molecule_chembl_id": "CHEMBL43612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.16", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JUGLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)c2c(O)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959388", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENDILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959388, "molecule_chembl_id": "CHEMBL254832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.46", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "fendiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958887", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958887, "molecule_chembl_id": "CHEMBL1256573", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.72", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-hydroxysaclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(O)(CS(=O)(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150462", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INOSITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150462, "molecule_chembl_id": "CHEMBL1222251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "INOSITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956466", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANDOLAPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956466, "molecule_chembl_id": "CHEMBL1519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trandolapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961441", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961441, "molecule_chembl_id": "CHEMBL606201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.46", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JZL-195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961448", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENTRECTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961448, "molecule_chembl_id": "CHEMBL1983268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.65", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Entrectinib (RXDX-101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963167", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CALCIFEDIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963167, "molecule_chembl_id": "CHEMBL1040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcifediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955985", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOTOFISOPAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955985, "molecule_chembl_id": "CHEMBL2107351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(S)-Tofisopam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955728", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUCLADESINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955728, "molecule_chembl_id": "CHEMBL485980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.39", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bucladesine sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961626", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961626, "molecule_chembl_id": "CHEMBL4303508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP 673451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955777", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955777, "molecule_chembl_id": "CHEMBL1076257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.21", "alogp": "-1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Fluoro-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964318", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964318, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlexanox\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959399", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959399, "molecule_chembl_id": "CHEMBL1526242", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METERGOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)CC21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960558", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCHLORPERAZINE EDISYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960558, "molecule_chembl_id": "CHEMBL1201154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.15", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCHLORPERAZINE EDISYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960772", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960772, "molecule_chembl_id": "CHEMBL2058533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TUG-891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831232", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXYLENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831232, "molecule_chembl_id": "CHEMBL398440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.61", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXYLENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc(C)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958662", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROXATEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958662, "molecule_chembl_id": "CHEMBL2105475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.13", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "broxaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.985", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Br)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831191", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSARTAN POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831191, "molecule_chembl_id": "CHEMBL995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.01", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961054", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961054, "molecule_chembl_id": "CHEMBL2204495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK2578215A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960297", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-345541", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960297, "molecule_chembl_id": "CHEMBL249697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-345541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960057", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACTINOQUINOL SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960057, "molecule_chembl_id": "CHEMBL2107582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.26", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACTINOQUINOL SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.871", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)[O-])c2cccnc12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963888", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963888, "molecule_chembl_id": "CHEMBL1254577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0364739"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.537", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963804", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTOSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963804, "molecule_chembl_id": "CHEMBL1580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838689", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838689, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "227.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830897", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PJ34", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830897, "molecule_chembl_id": "CHEMBL3233481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.80", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PJ34 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831034", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831034, "molecule_chembl_id": "CHEMBL375563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.74", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(20S)-PROTOPANAXADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838773", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST AGONIST", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838773, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3082", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832140", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEBACIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832140, "molecule_chembl_id": "CHEMBL1232164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.25", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DISODIUM SEBACATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838777", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST AGONIST", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838777, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "213.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838786", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838786, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "208.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838788", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.50", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838788, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3176.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831449", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERINDOPRIL ERBUMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831449, "molecule_chembl_id": "CHEMBL1200343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.61", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERINDOPRIL ERBUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831459", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831459, "molecule_chembl_id": "CHEMBL545328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXPROPRANOLOL HYDROCHLORIDE [R(+)]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832006", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESONIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832006, "molecule_chembl_id": "CHEMBL1201109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.51", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836183", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836183, "molecule_chembl_id": "CHEMBL295619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.41", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rufloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831247", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831247, "molecule_chembl_id": "CHEMBL1449651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.30", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRROLIDINE-DITHIOCARBAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N.S=C(S)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960767", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960767, "molecule_chembl_id": "CHEMBL4303284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.16", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pralidoxime-chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.636", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccccc1CN=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959382", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959382, "molecule_chembl_id": "CHEMBL1160131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.34", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PG-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960866", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960866, "molecule_chembl_id": "CHEMBL1514276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.69", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-45041-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc2c1CN(C1=NCCN1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960415", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960415, "molecule_chembl_id": "CHEMBL284954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-297006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.327", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964015", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964015, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITAZOXANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956301", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETASPIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956301, "molecule_chembl_id": "CHEMBL1184904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.71", "alogp": "4.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "RETASPIMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-107.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956264", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956264, "molecule_chembl_id": "CHEMBL4075936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FPS-ZM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955860", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955860, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefdinir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961049", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961049, "molecule_chembl_id": "CHEMBL498270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955864", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RISEDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955864, "molecule_chembl_id": "CHEMBL923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.11", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Risedronate sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831740", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICARIIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831740, "molecule_chembl_id": "CHEMBL553204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "676.67", "alogp": "0.07", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "ICARIIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838692", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838692, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "602.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838839", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838839, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831999", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL DECANOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831999, "molecule_chembl_id": "CHEMBL1200986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.12", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "HALOPERIDOL-DECANOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827298", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827298, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LPV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.48", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838952", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838952, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.838", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835979", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULBUTIAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835979, "molecule_chembl_id": "CHEMBL2105813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "702.90", "alogp": "4.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "sulbutiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(\\CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838866", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838866, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.474", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831774", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRBANIBULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831774, "molecule_chembl_id": "CHEMBL571546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "KX2-391"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831474", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831474, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS-777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831244", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESCITALOPRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831244, "molecule_chembl_id": "CHEMBL1508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CITALOPRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830992", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830992, "molecule_chembl_id": "CHEMBL214796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.34", "alogp": "6.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2295"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960413", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Z160", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960413, "molecule_chembl_id": "CHEMBL604710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.62", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NP118809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963995", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963995, "molecule_chembl_id": "CHEMBL551505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "exo-IWR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959707", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959707, "molecule_chembl_id": "CHEMBL2134545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.51", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAG-956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964314", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.06", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964314, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "hemin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "880.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964009", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964009, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Harringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955746", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA CAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955746, "molecule_chembl_id": "CHEMBL1293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "536.89", "alogp": "12.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Provitamin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960284", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960284, "molecule_chembl_id": "CHEMBL4303341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.93", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ZINC UNDECYLENATE [4mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960385", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960385, "molecule_chembl_id": "CHEMBL14276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.39", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-228357"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956274", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-778123", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956274, "molecule_chembl_id": "CHEMBL279433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.89", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-778123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963689", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963689, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pimasertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831241", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMAPHOS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831241, "molecule_chembl_id": "CHEMBL251680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.77", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COUMOPHOS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957397", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957397, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUXOLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962111", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962111, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baricitinib (LY3009104)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957514", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957514, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILODOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962236", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPATYL NITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962236, "molecule_chembl_id": "CHEMBL488280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.17", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "propatylnitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962119", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962119, "molecule_chembl_id": "CHEMBL2177736", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.45", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P505-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146084", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146084, "molecule_chembl_id": "CHEMBL842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146686", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146686, "molecule_chembl_id": "CHEMBL1083993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "681.78", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AMIODARONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146687", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146687, "molecule_chembl_id": "CHEMBL1405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146301", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146301, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MIDOSTAURIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146304", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146304, "molecule_chembl_id": "CHEMBL1256955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "590.58", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-20712A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146306", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146306, "molecule_chembl_id": "CHEMBL4303387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.30", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK-962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150682", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLSIDOMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150682, "molecule_chembl_id": "CHEMBL1329455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.24", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOLSIDOMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146182", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRINABEREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146182, "molecule_chembl_id": "CHEMBL450940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.25", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRINABEREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145552", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADOMEGLIVANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145552, "molecule_chembl_id": "CHEMBL3707351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.64", "alogp": "7.94", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ADOMEGLIVANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956630", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIDACLOPRID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956630, "molecule_chembl_id": "CHEMBL406819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.66", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMIDACLOPRID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831228", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831228, "molecule_chembl_id": "CHEMBL399530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT018159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836059", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UREA", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836059, "molecule_chembl_id": "CHEMBL985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "60.06", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Urea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961052", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RSV-604", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961052, "molecule_chembl_id": "CHEMBL223402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.40", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RSV604"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960051", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3-AMINOBENZAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960051, "molecule_chembl_id": "CHEMBL81977", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.15", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-amino-benzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150163", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150163, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150318", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150318, "molecule_chembl_id": "CHEMBL255408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.87", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Teijin-compound-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150248", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANOLAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150248, "molecule_chembl_id": "CHEMBL1526084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.47", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RANOLAZINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154144", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154144, "molecule_chembl_id": "CHEMBL3609326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.40", "alogp": "5.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956478", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROTRIPTYLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956478, "molecule_chembl_id": "CHEMBL668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROTRIPTYLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961256", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVODOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961256, "molecule_chembl_id": "CHEMBL1009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956138", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-180736A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956138, "molecule_chembl_id": "CHEMBL384073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.37", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK180736A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956546", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BASMISANIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956546, "molecule_chembl_id": "CHEMBL3681419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.47", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BASMISANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956548", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956548, "molecule_chembl_id": "CHEMBL570667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.42", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-262611"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961327", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAROMOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961327, "molecule_chembl_id": "CHEMBL2206196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "713.71", "alogp": "-8.86", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "paromomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961347", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961347, "molecule_chembl_id": "CHEMBL277525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956639", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956639, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN A9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961611", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961611, "molecule_chembl_id": "CHEMBL214796", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.34", "alogp": "6.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2295"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5971", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150747", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAMANID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150747, "molecule_chembl_id": "CHEMBL218650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.49", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Delamanid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150755", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTOSPLETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150755, "molecule_chembl_id": "CHEMBL3265032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ENTOSPLETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146263", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146263, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dutasteride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960914", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960914, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumiracoxib (COX-189)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.313", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960924", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XANTHONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960924, "molecule_chembl_id": "CHEMBL186784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.21", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xanthone (Genicide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960966", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960966, "molecule_chembl_id": "CHEMBL3609372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.93", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVS-PAK1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956199", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-06651600", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956199, "molecule_chembl_id": "CHEMBL4085457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.35", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PF-06651600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960974", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960974, "molecule_chembl_id": "CHEMBL4303276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.64", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "20-Hydroxyecdysone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960977", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960977, "molecule_chembl_id": "CHEMBL217354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.71", "alogp": "6.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TW-37"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960978", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMIDUCID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960978, "molecule_chembl_id": "CHEMBL269259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1411.65", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "Rimiducid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCNC(=O)COc2cccc([C@@H](CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC)c3cc(OC)c(OC)c(OC)c3)c2)c1)c1cc(OC)c(OC)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956204", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956204, "molecule_chembl_id": "CHEMBL4072132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.36", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG3039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960979", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960979, "molecule_chembl_id": "CHEMBL3348846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.58", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD4547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.806", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@H](C)C4)cc3)n[nH]2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146586", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMINDIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146586, "molecule_chembl_id": "CHEMBL288496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROMINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960835", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960835, "molecule_chembl_id": "CHEMBL237830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.37", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ 811"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151210", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151210, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956084", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956084, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pranlukast hydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834633", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEANDRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834633, "molecule_chembl_id": "CHEMBL4285883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.73", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OLEANDRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835202", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEBOPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835202, "molecule_chembl_id": "CHEMBL325109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.88", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clebopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01312", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829935", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RASAGILINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829935, "molecule_chembl_id": "CHEMBL1201142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.35", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RASAGILINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835099", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835099, "molecule_chembl_id": "CHEMBL538104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.63", "alogp": "-2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIN-1 chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.[NH-]c1c[n+](N2CCOCC2)no1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835100", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIVELESTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835100, "molecule_chembl_id": "CHEMBL76688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Sivelestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1753", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830317", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRIDINE LACTATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830317, "molecule_chembl_id": "CHEMBL582355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHACRIDINE LACTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829943", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829943, "molecule_chembl_id": "CHEMBL1200701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834645", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834645, "molecule_chembl_id": "CHEMBL4303705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "648.80", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CHROMANOL-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O.CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829946", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829946, "molecule_chembl_id": "CHEMBL1201004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.32", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXTROMETHORPHAN HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829948", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBENECID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829948, "molecule_chembl_id": "CHEMBL897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.36", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROBENECID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRAPAZAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829952, "molecule_chembl_id": "CHEMBL50882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.15", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TIRAPAZAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829957", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXICAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829957, "molecule_chembl_id": "CHEMBL53292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834242", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834242, "molecule_chembl_id": "CHEMBL4303171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 02188"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827982", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUBENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827982, "molecule_chembl_id": "CHEMBL1454946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flubendazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1033", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829549", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829549, "molecule_chembl_id": "CHEMBL1556584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.19", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPERMINE.4HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833156", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833156, "molecule_chembl_id": "CHEMBL2360047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TIQUIZIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N@+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834255", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834255, "molecule_chembl_id": "CHEMBL4303614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-METHYL-5-NITROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835551", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835551, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pexidartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835553", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENSUXIMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835553, "molecule_chembl_id": "CHEMBL797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phensuximide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05634", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829578", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829578, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILODOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834280", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834280, "molecule_chembl_id": "CHEMBL4303222", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.62", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PDP-EA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828720", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828720, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nelarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830282", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIPIZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830282, "molecule_chembl_id": "CHEMBL1073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLIPIZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834992", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834992, "molecule_chembl_id": "CHEMBL4303585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.12", "alogp": "1.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefcapene Pivoxil Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1129", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835803", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.243215891,0.238257579)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLITHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835803, "molecule_chembl_id": "CHEMBL1232510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "845.02", "alogp": "4.60", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "solithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2407", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835689", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835689, "molecule_chembl_id": "CHEMBL4303610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.15", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monosodium-alpha-luminol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c(=O)[nH][nH]c(=O)c12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835694", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLOMETHASONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835694, "molecule_chembl_id": "CHEMBL1586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.92", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "beclomethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1286", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835846", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEPHENIUM HYDROXYNAPHTHOATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835846, "molecule_chembl_id": "CHEMBL1673148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.54", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bephenium hydroxynaphthoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835860", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835860, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835721", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARGLUMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835721, "molecule_chembl_id": "CHEMBL1201780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "carglumic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1387", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829553", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGAPTEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829553, "molecule_chembl_id": "CHEMBL24171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BERGAPTEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2ccoc2cc2oc(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828015", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEHYDROEPIANDROSTERONE ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828015, "molecule_chembl_id": "CHEMBL1480686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dehydroisoandosterone 3-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828018", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828018, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentetic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02435", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832726", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINEPAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832726, "molecule_chembl_id": "CHEMBL1874750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CINEPAZIDE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832652", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832652, "molecule_chembl_id": "CHEMBL1738731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-BVU972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828024", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828024, "molecule_chembl_id": "CHEMBL4303512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Tyloxapol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1013", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828100", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESALAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828100, "molecule_chembl_id": "CHEMBL704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesalamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833882", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833882, "molecule_chembl_id": "CHEMBL300117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVOPROPOXYPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829807", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829807, "molecule_chembl_id": "CHEMBL39372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-CARBOXY-3-HYDROXYPHENYLGLYCINE-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833680", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERCANIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833680, "molecule_chembl_id": "CHEMBL250270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "611.74", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LERCANIDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834361", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834361, "molecule_chembl_id": "CHEMBL4303296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829864", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829864, "molecule_chembl_id": "CHEMBL297362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XYLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC1=NCCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835070", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUCALOPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835070, "molecule_chembl_id": "CHEMBL117287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prucalopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830622", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830622, "molecule_chembl_id": "CHEMBL143210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,4-DCPG-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830398", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAFURAMIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830398, "molecule_chembl_id": "CHEMBL319669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PAFURAMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANS-ASARONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830516, "molecule_chembl_id": "CHEMBL333306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.26", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPHA-ASARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/c1cc(OC)c(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830412", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830412, "molecule_chembl_id": "CHEMBL104468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K00019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830521", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBELINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830521, "molecule_chembl_id": "CHEMBL1257005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.92", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOBELINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830523", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830523, "molecule_chembl_id": "CHEMBL333985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "12a, YC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835434", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALGESTONE ACETOPHENIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835434, "molecule_chembl_id": "CHEMBL3989742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.60", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "algestone-acetophenide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834204", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834204, "molecule_chembl_id": "CHEMBL4303420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.07", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BC-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCc1ccc(B(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835052", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOBENDAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835052, "molecule_chembl_id": "CHEMBL24646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pimobendan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835832", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835832, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Altretamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1959", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835833", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMFENAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835833, "molecule_chembl_id": "CHEMBL25146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amfenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830168", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLOMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830168, "molecule_chembl_id": "CHEMBL1256400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.84", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "XYLOMETAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835709", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICALUTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835709, "molecule_chembl_id": "CHEMBL409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bicalutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2724", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834453", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834453, "molecule_chembl_id": "CHEMBL1794737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.14", "alogp": "-3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GLUCARIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830042", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THREONINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830042, "molecule_chembl_id": "CHEMBL291747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-THREONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834357", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834357, "molecule_chembl_id": "CHEMBL4303417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORG-26576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccnc2OC[C@@H]2CCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829795", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829795, "molecule_chembl_id": "CHEMBL543557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.91", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-89976A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834500", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834500, "molecule_chembl_id": "CHEMBL4303691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-HYDROXY-1H-IMIDAZOLE-4-CARBOXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1[nH]cnc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835542", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARICALCITOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835542, "molecule_chembl_id": "CHEMBL1200622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "paricalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829806", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETRIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829806, "molecule_chembl_id": "CHEMBL38938", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.13", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETRIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828004", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMODIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828004, "molecule_chembl_id": "CHEMBL1428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nimodipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829546", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALIRASIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829546, "molecule_chembl_id": "CHEMBL23293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.55", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "SALIRASIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833883, "molecule_chembl_id": "CHEMBL4303211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.44", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832952, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CABOZANTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834193", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834193, "molecule_chembl_id": "CHEMBL4303200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.61", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "RIFAMYCIN SV SODIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833040", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833040, "molecule_chembl_id": "CHEMBL2134545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.51", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAG-956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827855", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTEPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827855, "molecule_chembl_id": "CHEMBL285802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.87", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zotepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828345", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828345, "molecule_chembl_id": "CHEMBL1437585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.30", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tolmetin sodium salt dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.O.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834199", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834199, "molecule_chembl_id": "CHEMBL1628564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.46", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2365109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(-c2ccc3c(c2)OCO3)cc1C(C)(C)C)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828347", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAZOSIN MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828347, "molecule_chembl_id": "CHEMBL1200561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.59", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doxazosin mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833052", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALADEGIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833052, "molecule_chembl_id": "CHEMBL2142592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALADEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828059", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMSYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828059, "molecule_chembl_id": "CHEMBL1514715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.31", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethamsylate diethylammonium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC.O=S(=O)(O)c1cc(O)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827951", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLICLAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827951, "molecule_chembl_id": "CHEMBL427216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gliclazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835465", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATROPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835465, "molecule_chembl_id": "CHEMBL517712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.37", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Atropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835664", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDELOXAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835664, "molecule_chembl_id": "CHEMBL2448146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.76", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Indeloxazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04248", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=Cc2cccc(OCC3CNCCO3)c2C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835665", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPODATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835665, "molecule_chembl_id": "CHEMBL1201243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "597.96", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "iopodic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830658", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830658, "molecule_chembl_id": "CHEMBL151059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTABINDIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835365", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIMAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835365, "molecule_chembl_id": "CHEMBL1515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.17", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc[nH]c1=S", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835366", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSUXIMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835366, "molecule_chembl_id": "CHEMBL697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methsuximide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.324", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835368", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYROSINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835368, "molecule_chembl_id": "CHEMBL1200862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metirosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829496", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829496, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832565", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832565, "molecule_chembl_id": "CHEMBL1618199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.52", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IEM1460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827864", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIMAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827864, "molecule_chembl_id": "CHEMBL508102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)n1ccn(C)c1=S", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832758, "molecule_chembl_id": "CHEMBL1923233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.28", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEGRASYN (WP1130)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832577", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832577, "molecule_chembl_id": "CHEMBL1553978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.12", "alogp": "7.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZYLDIMETHYLHEXADECYLAMMONIUM CHLORIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828357", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOBROMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828357, "molecule_chembl_id": "CHEMBL1114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Theobromine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04567", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c1c(=O)[nH]c(=O)n2C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832579, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBEQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835367", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METICRANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835367, "molecule_chembl_id": "CHEMBL1318341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meticrane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2902", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833400", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY2452473", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833400, "molecule_chembl_id": "CHEMBL3542265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.44", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2452473"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832793", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTRECTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832793, "molecule_chembl_id": "CHEMBL1983268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.65", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ENTRECTINIB (RXDX-101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "69.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832797", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBENZARIT SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832797, "molecule_chembl_id": "CHEMBL2107179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.65", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOBENZARIT DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829681", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESMOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829681, "molecule_chembl_id": "CHEMBL1201115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESMOLOL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834019", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834019, "molecule_chembl_id": "CHEMBL4303396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.63", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BAFETINIB (INNO-406)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834390", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834390, "molecule_chembl_id": "CHEMBL4303584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.87", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834679", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.62 \u00b1 0.05", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.21", "bao_label": "organism-based format", "molecule_pref_name": "CETYLPYRIDINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834679, "molecule_chembl_id": "CHEMBL2003538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.01", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CETYLPYRIDINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "620.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828735", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828735, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefdinir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5132", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834405", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834405, "molecule_chembl_id": "CHEMBL4303312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.80", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIODOXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c(O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835726", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRETANIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835726, "molecule_chembl_id": "CHEMBL349803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piretanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1486", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834216", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHIONE ZINC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834216, "molecule_chembl_id": "CHEMBL3392049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.71", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRITHIONE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829290", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUTILIDE FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829290, "molecule_chembl_id": "CHEMBL2355456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "885.24", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IBUTILIDE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835762", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTEGRAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835762, "molecule_chembl_id": "CHEMBL254316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.42", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0199", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830297", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMABROM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830297, "molecule_chembl_id": "CHEMBL2104825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.20", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAMABROM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)CO.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835008", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOXATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835008, "molecule_chembl_id": "CHEMBL2104045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.29", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cinoxate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCOC(=O)/C=C/c1ccc(OC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835013", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRAPARIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835013, "molecule_chembl_id": "CHEMBL1094636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "8, MK-4827"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06081", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830386", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830386, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "EXIFONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835549", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.166648423,0.035094044)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERGOLIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835549, "molecule_chembl_id": "CHEMBL531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.50", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pergolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1009", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834154", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834154, "molecule_chembl_id": "CHEMBL4303600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.58", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LITHOCHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834270", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834270, "molecule_chembl_id": "CHEMBL4303370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MATRINE ((+)-MATRINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835562", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAVANSERIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835562, "molecule_chembl_id": "CHEMBL2111101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.56", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pimavanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835791", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPROPTERIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835791, "molecule_chembl_id": "CHEMBL1201774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "-1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sapropterin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(O)c2N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829968", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829968, "molecule_chembl_id": "CHEMBL422942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-160170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834008", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPRENOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834008, "molecule_chembl_id": "CHEMBL2111163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.38", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIPRENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccccc1OCC(O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829686", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829686, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RESERPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834022", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTIAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834022, "molecule_chembl_id": "CHEMBL1200589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.10", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOTIAM HEXETIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830290", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIGABATRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830290, "molecule_chembl_id": "CHEMBL89598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.16", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vigabatrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(N)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834997", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834997, "molecule_chembl_id": "CHEMBL1436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.39", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cefuroxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832832", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832832, "molecule_chembl_id": "CHEMBL2030550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.31", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DG-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(/C=C(\\C#N)c3ccccc3Br)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835813", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBLASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835813, "molecule_chembl_id": "CHEMBL159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "810.99", "alogp": "3.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "vinblastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835777", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIOCIGUAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835777, "molecule_chembl_id": "CHEMBL2107834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riociguat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828999", "_score": 6.448316, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828999, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829233", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829233, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829512", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENHYDRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829512, "molecule_chembl_id": "CHEMBL1620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENHYDRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835824", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTAROLIMUS", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835824, "molecule_chembl_id": "CHEMBL219410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "966.23", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Zotarolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6315", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829517", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAPROTILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829517, "molecule_chembl_id": "CHEMBL1237135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MAPROTILINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833988", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833988, "molecule_chembl_id": "CHEMBL4303180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.18", "alogp": "-3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-PINITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833070", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833070, "molecule_chembl_id": "CHEMBL2164551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD9272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835829", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCLOMETASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835829, "molecule_chembl_id": "CHEMBL1200989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "alclometasone-dipropionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08294", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829520", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOBENZAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829520, "molecule_chembl_id": "CHEMBL1200636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.86", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOBENZAPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828094", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOXAGLIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828094, "molecule_chembl_id": "CHEMBL1201291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1268.88", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ioxaglic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7532", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828382", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALGANCICLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828382, "molecule_chembl_id": "CHEMBL1200454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.83", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valganciclovir hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829966", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829966, "molecule_chembl_id": "CHEMBL4303699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "SODIUM ORTHOVANADATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835292", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUROSEMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835292, "molecule_chembl_id": "CHEMBL35", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.75", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FUROSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828264", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETOZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828264, "molecule_chembl_id": "CHEMBL1697853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trimetozine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.007911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828927", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828927, "molecule_chembl_id": "CHEMBL4303721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.56", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cefsulodin Sodium Salt Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1703", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829014", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829014, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolutegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833721", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833721, "molecule_chembl_id": "CHEMBL106322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.22", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOMETHYLTRANSFERASE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN=C(N)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828434", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYNESTRENOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828434, "molecule_chembl_id": "CHEMBL2107431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lynestrenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834235", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834235, "molecule_chembl_id": "CHEMBL1287854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-RUXOLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827971", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827971, "molecule_chembl_id": "CHEMBL14", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.65", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbachol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834350", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834350, "molecule_chembl_id": "CHEMBL4303349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-({6-[(3-HYDROXYPHENYL)AMINO]PYRIDAZIN-3-YL}AMINO)PHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834463", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROMIDEPSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834463, "molecule_chembl_id": "CHEMBL343448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.71", "alogp": "1.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROMIDEPSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835372", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGLITOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835372, "molecule_chembl_id": "CHEMBL1561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Miglitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833663", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833663, "molecule_chembl_id": "CHEMBL4298329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "836.39", "alogp": "-2.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "P1,P4-DI(ADENOSINE-5')TETRAPHOSPHATE AMMONIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830823", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830823, "molecule_chembl_id": "CHEMBL3188205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "908.89", "alogp": "-8.90", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NEOMYCIN TRISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835535", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835535, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oxyclozanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1882", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829801", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEPROMAZINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829801, "molecule_chembl_id": "CHEMBL1883146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.54", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEPROMAZINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830839", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830839, "molecule_chembl_id": "CHEMBL3182014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.92", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUNAZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829192", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829192, "molecule_chembl_id": "CHEMBL276679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.45", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DORZOLAMIDE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834710", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5.71 \u00b1 0.05", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.24", "bao_label": "organism-based format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834710, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AVATROMBOPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5710.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830117", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830117, "molecule_chembl_id": "CHEMBL66998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.28", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NSC5844"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(NCCNc3ccnc4cc(Cl)ccc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830118", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830118, "molecule_chembl_id": "CHEMBL67934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TESTOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829493", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829493, "molecule_chembl_id": "CHEMBL635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.43", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834718", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "14.97 \u00b1 6.7", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.83", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834718, "molecule_chembl_id": "CHEMBL195789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-9810"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14970.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834830", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834830, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834833", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834833, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830020", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830020, "molecule_chembl_id": "CHEMBL291536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-334867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834726", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "18.59 \u00b1 0.09", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.73", "bao_label": "organism-based format", "molecule_pref_name": "ADOPRAZINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834726, "molecule_chembl_id": "CHEMBL221692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ADOPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834728", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "18.92 \u00b1 0.39", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": "CROCONAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834728, "molecule_chembl_id": "CHEMBL27289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.78", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18920.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834730", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "19 \u00b1 0.74", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834730, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835764", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMOSETRON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835764, "molecule_chembl_id": "CHEMBL1643895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ramosetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISACODYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830035, "molecule_chembl_id": "CHEMBL942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BISACODYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835682", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESNA", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835682, "molecule_chembl_id": "CHEMBL975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesna"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCS.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834755", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "56.2 \u00b1 9.79", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RALIMETINIB MESYLATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834755, "molecule_chembl_id": "CHEMBL2364627", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "612.75", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY2228820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56200.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834759", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.17 \u00b1 0.43", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SORAFENIB TOSYLATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834759, "molecule_chembl_id": "CHEMBL1200485", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "637.04", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1170.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834206", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOMATOSTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834206, "molecule_chembl_id": "CHEMBL1823872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1637.91", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "SOMATOSTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834210", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834210, "molecule_chembl_id": "CHEMBL4303392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "140.14", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835730", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLERIXAFOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835730, "molecule_chembl_id": "CHEMBL18442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.80", "alogp": "0.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Plerixafor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1129", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835735", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835735, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "pranlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04471", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834219", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834219, "molecule_chembl_id": "CHEMBL1231018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APY-29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc3[nH]cnc3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835739", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTANOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835739, "molecule_chembl_id": "CHEMBL210952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pregnanolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1546", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835747", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835747, "molecule_chembl_id": "CHEMBL1977418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.66", "alogp": "3.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "proscillaridin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1OC(O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)C(O)C(O)C1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835751", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOSTIGMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835751, "molecule_chembl_id": "CHEMBL1115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.22", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyridostigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.002406", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835752", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835752, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrimethamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835759", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABEPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835759, "molecule_chembl_id": "CHEMBL1219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.45", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0917", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832768", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANZISERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832768, "molecule_chembl_id": "CHEMBL1950289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TANZISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829286", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNC-80", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829286, "molecule_chembl_id": "CHEMBL13470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.64", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNC-80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833399", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833399, "molecule_chembl_id": "CHEMBL3527048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.60", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4981517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6)C5)c34)cnn2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834085", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834085, "molecule_chembl_id": "CHEMBL4104747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.44", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CACCINH-A01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828746", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRENOGEST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828746, "molecule_chembl_id": "CHEMBL1315492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Altrenogest"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832101", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832101, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ONALESPIB (AT13387)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "109.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829345", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829345, "molecule_chembl_id": "CHEMBL433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.20", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALPROATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834045", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLVAPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834045, "molecule_chembl_id": "CHEMBL344159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TOLVAPTAN (OPC-41061)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827334", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.47", "bao_label": "organism-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827334, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34120.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827336", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.15", "bao_label": "organism-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827336, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thiethylperazine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7090.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836013", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOTHIXENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836013, "molecule_chembl_id": "CHEMBL1201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thiothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03687", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830944", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830944, "molecule_chembl_id": "CHEMBL3561076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.26", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETAZIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149795", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149795, "molecule_chembl_id": "CHEMBL1697856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUCETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=O)CC(C)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154298", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.10", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154298, "molecule_chembl_id": "CHEMBL3781415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7920.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149196", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-TAXIFOLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149196, "molecule_chembl_id": "CHEMBL66", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.25", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834707", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "4.71 \u00b1 2.41", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.33", "bao_label": "organism-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834707, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM001246822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4710.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831771", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOBRAMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831771, "molecule_chembl_id": "CHEMBL1747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.52", "alogp": "-6.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TOBRAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833458", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833458, "molecule_chembl_id": "CHEMBL3609372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.93", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVS-PAK1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829386", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829386, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "INDINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831243", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMOTRIPTAN MALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831243, "molecule_chembl_id": "CHEMBL1200521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.56", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALMOTRIPTAN MALATE (AXERT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833470", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETC-159", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833470, "molecule_chembl_id": "CHEMBL3633802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ETC-159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827397", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827397, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20510.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834120", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834120, "molecule_chembl_id": "CHEMBL1577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYCLOTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833736", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833736, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827237", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DROLOXIFENE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827237, "molecule_chembl_id": "CHEMBL487", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Droloxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15820.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830898", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830898, "molecule_chembl_id": "CHEMBL364005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD-386088"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829818", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829818, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829820", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMIDRONATE DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829820, "molecule_chembl_id": "CHEMBL676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.03", "alogp": "-1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PAMIDRONATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828478", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAZIQUANTEL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828478, "molecule_chembl_id": "CHEMBL976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Praziquantel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834538", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834538, "molecule_chembl_id": "CHEMBL4303467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-179"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830402", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORAMAPIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830402, "molecule_chembl_id": "CHEMBL103667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.99", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DORAMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146656", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146656, "molecule_chembl_id": "CHEMBL543557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.91", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-89976A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955731", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955731, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Candesartan cilexetil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145539", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145539, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146386", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146386, "molecule_chembl_id": "CHEMBL373134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-TYP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(-c2cnn[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147145", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147145, "molecule_chembl_id": "CHEMBL381230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(\u00c2\u00b1)-Necrostatin-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956413", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956413, "molecule_chembl_id": "CHEMBL475627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nnc(-c4ccccc4)nc3s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APROFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146894, "molecule_chembl_id": "CHEMBL26505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APROFENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960581", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960581, "molecule_chembl_id": "CHEMBL4303172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "EUK 134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151270", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARTIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151270, "molecule_chembl_id": "CHEMBL274323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.10", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Aspartic-Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959190", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959190, "molecule_chembl_id": "CHEMBL246957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KF-38789"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.582", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960416", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE ZINC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960416, "molecule_chembl_id": "CHEMBL3392049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.71", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRITHIONE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963993", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREQUINAR SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963993, "molecule_chembl_id": "CHEMBL300058", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.36", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Brequinar sodium salt hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.795", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963344", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963344, "molecule_chembl_id": "CHEMBL4303487", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KS-176"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1C(=O)Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963732", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963732, "molecule_chembl_id": "CHEMBL4303677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "660.53", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AI-10-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831194", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILDENAFIL CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831194, "molecule_chembl_id": "CHEMBL1737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "666.71", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILDENAFIL CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831454", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831454, "molecule_chembl_id": "CHEMBL488093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PYRITINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836092", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MABUPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836092, "molecule_chembl_id": "CHEMBL2105154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mabuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)NCCO)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836103", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELOXICAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836103, "molecule_chembl_id": "CHEMBL599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.41", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Meloxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07638", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832074", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISUFENTON SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832074, "molecule_chembl_id": "CHEMBL1627056", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.34", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NXY-059 (DISUFENTON SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835974", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENIBUT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835974, "molecule_chembl_id": "CHEMBL315818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fenigam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1202", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827329", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "IC50", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827329, "molecule_chembl_id": "CHEMBL1637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.66", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151533", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAMANDOLE NAFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151533, "molecule_chembl_id": "CHEMBL1618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAMANDOLE NAFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150974", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150974, "molecule_chembl_id": "CHEMBL3039307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "664.44", "alogp": "-3.02", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151142", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151142, "molecule_chembl_id": "CHEMBL513136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.56", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCH-221510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151150", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151150, "molecule_chembl_id": "CHEMBL986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.46", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RETINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151937", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-733", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151937, "molecule_chembl_id": "CHEMBL1615025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.23", "alogp": "1.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146822", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELEXIPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146822, "molecule_chembl_id": "CHEMBL238804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.63", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SELEXIPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150851", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFATHIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150851, "molecule_chembl_id": "CHEMBL437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146740", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACIGUAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146740, "molecule_chembl_id": "CHEMBL1236936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.71", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Cinaciguat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151550", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCOPOLAMINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151550, "molecule_chembl_id": "CHEMBL2251240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.32", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SCOPOLAMINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146743", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-CHLOROKYNURENIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146743, "molecule_chembl_id": "CHEMBL311389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.62", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-chlorokynurenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2ccc(Cl)cc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146372", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STICTIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146372, "molecule_chembl_id": "CHEMBL173530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.31", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STICTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151263", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151263, "molecule_chembl_id": "CHEMBL2047811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.39", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830891", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICRONOMICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830891, "molecule_chembl_id": "CHEMBL373081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.58", "alogp": "-3.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MICRONOMICIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831261", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARDENAFIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831261, "molecule_chembl_id": "CHEMBL1339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.08", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARDENAFIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831220", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPIRTINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831220, "molecule_chembl_id": "CHEMBL1256752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.40", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUPIRTINE (MALEATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838801", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838801, "molecule_chembl_id": "CHEMBL104264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-89"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832064", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BESIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832064, "molecule_chembl_id": "CHEMBL1201761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BESIFLOXACIN HCL (BESIVANCE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827362", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.75", "bao_label": "organism-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827362, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17790.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150863", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM PICOSULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150863, "molecule_chembl_id": "CHEMBL1697768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.42", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sodium Picosulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958899", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958899, "molecule_chembl_id": "CHEMBL321415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.51", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-3403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958903", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958903, "molecule_chembl_id": "CHEMBL3915519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.48", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RP-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCC(=O)O)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145594", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE BUTYRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145594, "molecule_chembl_id": "CHEMBL1683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.56", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE BUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150876", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUP-697", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150876, "molecule_chembl_id": "CHEMBL42485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.32", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DUP-697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964055", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964055, "molecule_chembl_id": "CHEMBL1530581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.36", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-oxydiethylenebenzothiazole-2-sulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SN3CCOCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959732", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959732, "molecule_chembl_id": "CHEMBL1200388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959114", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUPRANOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959114, "molecule_chembl_id": "CHEMBL305380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bupranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960407", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENOFOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960407, "molecule_chembl_id": "CHEMBL483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.22", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TENOFOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961135", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961135, "molecule_chembl_id": "CHEMBL3237589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.56", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EHop-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960421", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960421, "molecule_chembl_id": "CHEMBL1476397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.54", "alogp": "7.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-11302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(=C/C=C/C(C)=C/C(=O)O)c2ccc(C)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960546", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFIBRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960546, "molecule_chembl_id": "CHEMBL683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.65", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOFIBRIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956085", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956085, "molecule_chembl_id": "CHEMBL4562316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "867.13", "alogp": "6.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Nanchangmycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960865", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CALPEPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960865, "molecule_chembl_id": "CHEMBL92708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "calpeptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955498", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANISODAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955498, "molecule_chembl_id": "CHEMBL2165224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "6-Hydroxyhyoscyamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956489", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956489, "molecule_chembl_id": "CHEMBL1256850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.34", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836154", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836154, "molecule_chembl_id": "CHEMBL1413176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nifenazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01839", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147078", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147078, "molecule_chembl_id": "CHEMBL2017291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.45", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BET151"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959408", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALMEFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959408, "molecule_chembl_id": "CHEMBL1201152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.90", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nalmefene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3067", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145639", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145639, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralatrexate(Folotyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961634", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961634, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Camostat Mesilate (FOY-305)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961036", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEBHYDROLIN NAPHTHALENESULFONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961036, "molecule_chembl_id": "CHEMBL1394472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.69", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mebhydrolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.967", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146917", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146917, "molecule_chembl_id": "CHEMBL169233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.10", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "2-APB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOB(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831448", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOSTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831448, "molecule_chembl_id": "CHEMBL1580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOSTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963991", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETANIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963991, "molecule_chembl_id": "CHEMBL47405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.18", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etanidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963714", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963714, "molecule_chembl_id": "CHEMBL362223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.86", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-655240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.587", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958557", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958557, "molecule_chembl_id": "CHEMBL4566921", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.44", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "B-TPMF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C/Nc1nc2nccc(C(C)Oc3ccc(C(C)(C)C)cc3)n2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151279", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIMBAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151279, "molecule_chembl_id": "CHEMBL1437764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.77", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLIMBAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964193", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GADOTERIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964193, "molecule_chembl_id": "CHEMBL1200593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.69", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "GADOTERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.763", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831188", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SINOMENINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831188, "molecule_chembl_id": "CHEMBL248095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.40", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SINOMENINE (CUCOLINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830962", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830962, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(3?,5?)-3-HYDROXY-PREGNAN-20-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835890", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFEROXAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835890, "molecule_chembl_id": "CHEMBL556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.69", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Deferoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0000619", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830999", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARACATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830999, "molecule_chembl_id": "CHEMBL217092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.04", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SID164339484"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836318", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMOTRIGINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836318, "molecule_chembl_id": "CHEMBL741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.10", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lamotrigine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838780", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838780, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "145.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959193", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959193, "molecule_chembl_id": "CHEMBL196677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULPIRIDE (S [-])"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959587", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959587, "molecule_chembl_id": "CHEMBL3039335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ESTRADIOL CYPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2OC(=O)CCC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151182", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151182, "molecule_chembl_id": "CHEMBL4576512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.46", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ipratropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N@+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836326", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LASALOCID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836326, "molecule_chembl_id": "CHEMBL145347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "590.80", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "lasalocid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956441", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956441, "molecule_chembl_id": "CHEMBL65892", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG14361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145556", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145556, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IBUDILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145559", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E-64", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145559, "molecule_chembl_id": "CHEMBL374508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.41", "alogp": "-1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145601", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145601, "molecule_chembl_id": "CHEMBL1553873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BN82002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961576", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASISULAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961576, "molecule_chembl_id": "CHEMBL2110587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.12", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tasisulam (LY573636)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956447", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956447, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOFUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956348", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMENTOFLAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956348, "molecule_chembl_id": "CHEMBL63354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "538.46", "alogp": "5.13", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "AMENTOFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961244", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961244, "molecule_chembl_id": "CHEMBL56731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-494"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146615", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRENALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146615, "molecule_chembl_id": "CHEMBL2103996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADRENALONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146293", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146293, "molecule_chembl_id": "CHEMBL1478530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.36", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "procaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146296", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLPARABEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146296, "molecule_chembl_id": "CHEMBL194014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.20", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propyl 4-hydroxybenzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GDC-0152", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146516, "molecule_chembl_id": "CHEMBL2063869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.65", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836452", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEDRATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836452, "molecule_chembl_id": "CHEMBL1287853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.69", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TG101348"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.003207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUCONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831595, "molecule_chembl_id": "CHEMBL464345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.16", "alogp": "-3.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SODIUM GLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150994", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150994, "molecule_chembl_id": "CHEMBL1234222", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.15", "alogp": "-2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Deoxy-2-fluoro-D-galactose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150637", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OC000459", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150637, "molecule_chembl_id": "CHEMBL560993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OC000459"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150779", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORPHENADRINE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150779, "molecule_chembl_id": "CHEMBL1200395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.51", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Orphenadrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955833", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIENOGEST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955833, "molecule_chembl_id": "CHEMBL1201864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.42", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dienogest\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955551", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955551, "molecule_chembl_id": "CHEMBL442329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "177.16", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Luminol sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "156.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c(=O)[nH][nH]c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960730", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUBSTANCE P", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960730, "molecule_chembl_id": "CHEMBL235363", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1347.66", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "substance-p"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.375", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956439", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956439, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956556", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHROMAFENOZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956556, "molecule_chembl_id": "CHEMBL227020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHROMAFENOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145578", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTROLENE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145578, "molecule_chembl_id": "CHEMBL928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.24", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dantrolene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150557", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150557, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acitretin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957374", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957374, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145649", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFAXALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145649, "molecule_chembl_id": "CHEMBL190279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alfaxalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146689", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUBASTATIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146689, "molecule_chembl_id": "CHEMBL2018302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUBASTATIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151092", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151092, "molecule_chembl_id": "CHEMBL4303420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.07", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BC-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCc1ccc(B(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151200", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151200, "molecule_chembl_id": "CHEMBL496587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.13", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085938"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2cccc(Br)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959185", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959185, "molecule_chembl_id": "CHEMBL1713992", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.43", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirlindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc2c(c1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963887", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963887, "molecule_chembl_id": "CHEMBL4303239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "574.08", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NS-5806"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Br)cc(Br)cc1-c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959421", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959421, "molecule_chembl_id": "CHEMBL191467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.12", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PMPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964103", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964103, "molecule_chembl_id": "CHEMBL1705", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.56", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLONIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964048", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROPERIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964048, "molecule_chembl_id": "CHEMBL1108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.44", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DROPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146073", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146073, "molecule_chembl_id": "CHEMBL176544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW 441756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(/C=C2\\C(=O)Nc3cccnc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150900", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150900, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MUBRITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961178", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961178, "molecule_chembl_id": "CHEMBL1329690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.74", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Miglustat (N-Butyldeoxynojirimycin_HCL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956402", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPI-549", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956402, "molecule_chembl_id": "CHEMBL3984425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.58", "alogp": "3.24", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "IPI549"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961226", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961226, "molecule_chembl_id": "CHEMBL4303367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.36", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cibenzoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C2(c3ccccc3)CC2=C2NCCN2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146136", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOTEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146136, "molecule_chembl_id": "CHEMBL2403238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CABOTEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145900", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-202190", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145900, "molecule_chembl_id": "CHEMBL278041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "138"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145995", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145995, "molecule_chembl_id": "CHEMBL1322301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-MATIDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)O)sc1C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150409", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPYRAMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150409, "molecule_chembl_id": "CHEMBL550011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.27", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROPYRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146435", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146435, "molecule_chembl_id": "CHEMBL341324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.94", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT-14225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146274", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-399885", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146274, "molecule_chembl_id": "CHEMBL1210710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.36", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-399885"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146643", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBADOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146643, "molecule_chembl_id": "CHEMBL13779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.23", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBADOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150777", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150777, "molecule_chembl_id": "CHEMBL467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "76.05", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145568", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145568, "molecule_chembl_id": "CHEMBL1977874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.30", "alogp": "-0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-484954"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145576", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145576, "molecule_chembl_id": "CHEMBL139393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.27", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD006716"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151207", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERIDOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151207, "molecule_chembl_id": "CHEMBL1511957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.90", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPERIDOLATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146713", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADELMIDROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146713, "molecule_chembl_id": "CHEMBL2105967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.36", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ADELMIDROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCCC(=O)NCCO)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151304", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151304, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAZOPANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959810", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVONORDEFRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959810, "molecule_chembl_id": "CHEMBL677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVONORDEFRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958399", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958399, "molecule_chembl_id": "CHEMBL506999", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.67", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org 12962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(N2CCNCC2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959813", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959813, "molecule_chembl_id": "CHEMBL477121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMD-3465"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955815", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLAPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955815, "molecule_chembl_id": "CHEMBL521686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olaparib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955884", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERUBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955884, "molecule_chembl_id": "CHEMBL492399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Verubulin hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959747", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPELOPSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959747, "molecule_chembl_id": "CHEMBL3348861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.25", "alogp": "0.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Dihydromyricetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150310", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMORAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150310, "molecule_chembl_id": "CHEMBL435966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nimorazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cncn1CCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153602", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153602, "molecule_chembl_id": "CHEMBL370152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.34", "alogp": "6.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "nTZDpa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMOPROLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148758, "molecule_chembl_id": "CHEMBL2106030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moprolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC[C@@H](O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153375", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153375, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149574", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AP18 5", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149574, "molecule_chembl_id": "CHEMBL593902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AP-18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=C\\c1ccc(Cl)cc1)/C(C)=N/O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150077", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150077, "molecule_chembl_id": "CHEMBL297362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XYLAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC1=NCCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150080", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPHAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150080, "molecule_chembl_id": "CHEMBL1706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPHAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149314", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149314, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPRONIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149323", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLEROXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149323, "molecule_chembl_id": "CHEMBL6273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fleroxacin (Quinodis)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148888", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASELISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148888, "molecule_chembl_id": "CHEMBL2387080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.54", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154229", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.87", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154229, "molecule_chembl_id": "CHEMBL1213137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOMIPHENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13620.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154669", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154669, "molecule_chembl_id": "CHEMBL2178735", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "467.49", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM201636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148870", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOMEDIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148870, "molecule_chembl_id": "CHEMBL3707255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.25", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "epomediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC2(C)C(O)CC1CC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153825", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153825, "molecule_chembl_id": "CHEMBL2135651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin (Procoxacin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)O)C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153826", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPACHONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153826, "molecule_chembl_id": "CHEMBL15192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1a; beta-lap"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153828", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRANSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153828, "molecule_chembl_id": "CHEMBL4297188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Miransertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153830", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153830, "molecule_chembl_id": "CHEMBL3603847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149752", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149752, "molecule_chembl_id": "CHEMBL4303302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.41", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830325", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECAINIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830325, "molecule_chembl_id": "CHEMBL1256805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.83", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACECAINIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831050", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAZOLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831050, "molecule_chembl_id": "CHEMBL1200523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.50", "alogp": "-0.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAZOLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834317", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834317, "molecule_chembl_id": "CHEMBL4303516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.45", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMIDAPRIL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835390", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENALOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835390, "molecule_chembl_id": "CHEMBL127349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifenalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2196", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835592", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPACETAMOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835592, "molecule_chembl_id": "CHEMBL1851805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propacetamol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2265", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830716", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830716, "molecule_chembl_id": "CHEMBL158897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RHC-80267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146940", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146940, "molecule_chembl_id": "CHEMBL2106730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146955", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146955, "molecule_chembl_id": "CHEMBL540612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.01", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151465", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECARBINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151465, "molecule_chembl_id": "CHEMBL1881106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mecarbinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(C)n(C)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147221", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMESNA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147221, "molecule_chembl_id": "CHEMBL2104318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.35", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DIMESNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147270", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147270, "molecule_chembl_id": "CHEMBL1716015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fluorometholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148855", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMIPROSATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148855, "molecule_chembl_id": "CHEMBL149082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.18", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRAMIPROSATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149996", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149996, "molecule_chembl_id": "CHEMBL3184512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.97", "alogp": "0.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clindamycin phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149009", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149009, "molecule_chembl_id": "CHEMBL4303298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Theanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149911", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2'-B-METHYL-GUANOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149911, "molecule_chembl_id": "CHEMBL418899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-c-methylguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149977", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLASCOTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149977, "molecule_chembl_id": "CHEMBL3590187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clascoterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149985", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIMBAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149985, "molecule_chembl_id": "CHEMBL1437764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.77", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Climbazole\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149989", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149989, "molecule_chembl_id": "CHEMBL1530633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PINDOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154296", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.60", "bao_label": "organism-based format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154296, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25260.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151512", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151512, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rosmarinic_acid\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151514", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151514, "molecule_chembl_id": "CHEMBL3335793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.51", "alogp": "2.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147476", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147476, "molecule_chembl_id": "CHEMBL1697690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-177864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147973", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147973, "molecule_chembl_id": "CHEMBL3989798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "840.92", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "formoterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834097", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRULIFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834097, "molecule_chembl_id": "CHEMBL422648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRULIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829397", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829397, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CELECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833211", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOLVATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833211, "molecule_chembl_id": "CHEMBL3039525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "633.70", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GOLVATINIB (E7050)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828099", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828099, "molecule_chembl_id": "CHEMBL1200856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.70", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Thiethylperazine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836027", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIQUIZIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836027, "molecule_chembl_id": "CHEMBL1872078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.54", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "tiquizium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833367", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833367, "molecule_chembl_id": "CHEMBL3356976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.39", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JW-642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833275", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833275, "molecule_chembl_id": "CHEMBL3187798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.26", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OAC1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832511", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORNOXICAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832511, "molecule_chembl_id": "CHEMBL1569487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.83", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORNOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828844", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIPOTRIENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828844, "molecule_chembl_id": "CHEMBL1200666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcipotriene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833551", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELIRAGON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833551, "molecule_chembl_id": "CHEMBL3989929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.13", "alogp": "8.44", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "AZELIRAGON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828850", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828850, "molecule_chembl_id": "CHEMBL4303667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyridostigmine iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1.[I-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833555, "molecule_chembl_id": "CHEMBL3990276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "TALC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833558", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833558, "molecule_chembl_id": "CHEMBL3991927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.48", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HMN-214"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828511", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERIDIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828511, "molecule_chembl_id": "CHEMBL449317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829354", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-255283", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829354, "molecule_chembl_id": "CHEMBL15766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.46", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY255283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833192", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833192, "molecule_chembl_id": "CHEMBL2431120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833560", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833560, "molecule_chembl_id": "CHEMBL3991934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.54", "alogp": "4.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ACTB-1003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn2c1CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828855", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIGLUTATIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828855, "molecule_chembl_id": "CHEMBL1372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.64", "alogp": "-3.88", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Oxiglutatione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833641", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPRANAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833641, "molecule_chembl_id": "CHEMBL222559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.68", "alogp": "7.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TIPRANAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833442", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833442, "molecule_chembl_id": "CHEMBL3586462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAMPT-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CS(=O)(=O)Nc1ccc2c(c1)CCN(C(=O)COc1cccnc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829362", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829362, "molecule_chembl_id": "CHEMBL566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "112.09", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "URACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829363", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAMINOPHEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829363, "molecule_chembl_id": "CHEMBL112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETAMINOPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834064", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFSULODIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834064, "molecule_chembl_id": "CHEMBL3351077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.56", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFSULODIN (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834067", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICARAVEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834067, "molecule_chembl_id": "CHEMBL1705525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.32", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICARAVEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834068", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834068, "molecule_chembl_id": "CHEMBL1322301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-MATIDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)O)sc1C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829369", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829369, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULINDAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829373", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURANTOIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829373, "molecule_chembl_id": "CHEMBL572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.16", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITROFURANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829114", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829114, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRETINOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834147", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834147, "molecule_chembl_id": "CHEMBL4303283", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP 231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccc(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2s1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836541", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836541, "molecule_chembl_id": "CHEMBL30", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.35", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIMETIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N/CCSCc1nc[nH]c1C)NC#N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831178", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831178, "molecule_chembl_id": "CHEMBL556399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.75", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-75"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838882", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE, MAY MAKE IT WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838882, "molecule_chembl_id": "CHEMBL4226570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1002.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834107", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834107, "molecule_chembl_id": "CHEMBL2013230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.59", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF11207 FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833214", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833214, "molecule_chembl_id": "CHEMBL3039602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.30", "alogp": "-5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LACTOBIONIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833677", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833677, "molecule_chembl_id": "CHEMBL4303195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.32", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4BP-TQS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(Br)cc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833225", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833225, "molecule_chembl_id": "CHEMBL3103988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833185", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VESATOLIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833185, "molecule_chembl_id": "CHEMBL2424780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.52", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VESATOLIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829049", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-203580", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829049, "molecule_chembl_id": "CHEMBL10", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-203580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829371", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829371, "molecule_chembl_id": "CHEMBL1200841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.78", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834074", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834074, "molecule_chembl_id": "CHEMBL3039407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.97", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@]2(C(=O)CCl)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835957", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAVERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835957, "molecule_chembl_id": "CHEMBL1555736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.50", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ethaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02741", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829005", "_score": 6.448316, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829005, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829215", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829215, "molecule_chembl_id": "CHEMBL1718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALOXONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828500", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828500, "molecule_chembl_id": "CHEMBL1514634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.57", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ambroxol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833702", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833702, "molecule_chembl_id": "CHEMBL1515808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.38", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BE-2254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829116", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829116, "molecule_chembl_id": "CHEMBL1201082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.79", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829203", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829203, "molecule_chembl_id": "CHEMBL1696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.85", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149675", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALSALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149675, "molecule_chembl_id": "CHEMBL154111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salsalate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1C(=O)O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149831", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASULDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149831, "molecule_chembl_id": "CHEMBL358392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.27", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tasuldine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(SCc2cccnc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153784", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153784, "molecule_chembl_id": "CHEMBL4439276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "829.27", "alogp": "7.76", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "S63845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2c(-c3ccc(F)o3)sc3ncnc(O[C@H](Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153579, "molecule_chembl_id": "CHEMBL1571863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Isoconazole nitrate (Travogen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834423", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTAZIDIME", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834423, "molecule_chembl_id": "CHEMBL44354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.59", "alogp": "-1.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceftazidime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828310", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIDINOL METHANESULFONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828310, "molecule_chembl_id": "CHEMBL1528011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.53", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pridinol methanesulfonate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8315", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833167", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833167, "molecule_chembl_id": "CHEMBL2386874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.37", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEN-1269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833168", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCH-900776", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833168, "molecule_chembl_id": "CHEMBL2386889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.26", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-8776 (SCH 900776)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828405", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828405, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acitretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834163", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834163, "molecule_chembl_id": "CHEMBL4303450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.64", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEBIPENEM PIVOXIL (L-084)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@H](C)O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830806", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830806, "molecule_chembl_id": "CHEMBL367808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.14", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BIRT-377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830401", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAL ISONICOTINOYL HYDRAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830401, "molecule_chembl_id": "CHEMBL103111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(/C=N/NC(=O)c2ccncc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829349", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)PK-11195", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829349, "molecule_chembl_id": "CHEMBL416715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.87", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PK-11195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828482", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINCAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828482, "molecule_chembl_id": "CHEMBL1165342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vincamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1041", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833364", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833364, "molecule_chembl_id": "CHEMBL3355096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.88", "alogp": "4.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GINSENOSIDE C-K"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831673", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORCETRAPIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831673, "molecule_chembl_id": "CHEMBL479527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "600.48", "alogp": "8.20", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TORCETRAPIB (CP-529414)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827206", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.55", "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827206, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "280.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833227", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833227, "molecule_chembl_id": "CHEMBL3105836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833344", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833344, "molecule_chembl_id": "CHEMBL3338326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMOXIPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828642", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUATACAINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828642, "molecule_chembl_id": "CHEMBL2105272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.34", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quatacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)(C)C(=O)Nc1ccccc1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838850", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "pIC50", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838850, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORATADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831667", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831667, "molecule_chembl_id": "CHEMBL487553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.51", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1004"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828577", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828577, "molecule_chembl_id": "CHEMBL1134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.30", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Decamethonium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827371", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.27", "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827371, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5320.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835282", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUBENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835282, "molecule_chembl_id": "CHEMBL1454946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flubendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2556", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834811", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834811, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830112", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLPHTHALEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830112, "molecule_chembl_id": "CHEMBL63857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.33", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENOLPHTHALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834814", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEVONEDISTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834814, "molecule_chembl_id": "CHEMBL2364622", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "479.99", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEVONEDISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830453", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-MERCAPTOBENZOTHIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830453, "molecule_chembl_id": "CHEMBL111654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.26", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZO[D]THIAZOLE-2(3H)-THIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834827", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834827, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "POSACONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830457", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZM-241385", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830457, "molecule_chembl_id": "CHEMBL113142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-241385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830458", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADIPIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830458, "molecule_chembl_id": "CHEMBL1157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADIPIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832110", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATIZORAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832110, "molecule_chembl_id": "CHEMBL1229569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.40", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATIZORAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834164", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834164, "molecule_chembl_id": "CHEMBL4303475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.43", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASP-2535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835495", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTRIANISENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835495, "molecule_chembl_id": "CHEMBL1200761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Chlorotrianisene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1443", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833287", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833287, "molecule_chembl_id": "CHEMBL3221237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.60", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0773"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(F)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCc5nc6cccnc6[nH]5)CC[C@H]4[C@@H]3CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830324", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830324, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLEXANOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828671", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STIRIPENTOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828671, "molecule_chembl_id": "CHEMBL1983350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.29", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Stiripentol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1907", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834785", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "14.22 \u00b1 17.93", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834785, "molecule_chembl_id": "CHEMBL195789", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-9810"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14220.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834132", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALNOCTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834132, "molecule_chembl_id": "CHEMBL1075733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VALNOCTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(CC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835489", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHENODIOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835489, "molecule_chembl_id": "CHEMBL240597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chenodeoxycholic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829858", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829858, "molecule_chembl_id": "CHEMBL42661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2F)[nH]c(N)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830011", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMESULIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830011, "molecule_chembl_id": "CHEMBL56367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIMESULIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829822", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILMENIDINE HEMIFUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829822, "molecule_chembl_id": "CHEMBL1256674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.32", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RILMENIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1COC(NC(C2CC2)C2CC2)=N1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830463", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARAXANTHINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830463, "molecule_chembl_id": "CHEMBL1158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARAXANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)[nH]c2ncn(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828472", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEXILETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828472, "molecule_chembl_id": "CHEMBL1200606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.72", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mexiletine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1347", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(C)N.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154635", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154635, "molecule_chembl_id": "CHEMBL565269", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-62247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.66", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149626", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149626, "molecule_chembl_id": "CHEMBL1689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(CC2=NCCN2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829692", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXEDRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829692, "molecule_chembl_id": "CHEMBL33720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXEDRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150179", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150179, "molecule_chembl_id": "CHEMBL11608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TYRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150145", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-7603", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150145, "molecule_chembl_id": "CHEMBL2331680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.56", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0349"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149861", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STOBADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149861, "molecule_chembl_id": "CHEMBL479176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.30", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "stobadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149195", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149195, "molecule_chembl_id": "CHEMBL1287854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154542", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154542, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150059", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150059, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150066", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CASTANOSPERMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150066, "molecule_chembl_id": "CHEMBL311226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "-2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "castanospermine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834616", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834616, "molecule_chembl_id": "CHEMBL4303239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.08", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NS-5806"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Br)cc(Br)cc1-c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835447", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOROLFINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835447, "molecule_chembl_id": "CHEMBL489411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.52", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amorolfine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3007", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835048", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLBUTANOIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835048, "molecule_chembl_id": "CHEMBL1469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenylbutyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835245", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOPYRAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835245, "molecule_chembl_id": "CHEMBL517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "disopyramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1987", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830179", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERGURIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830179, "molecule_chembl_id": "CHEMBL73151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.47", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TERGURIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830763", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830763, "molecule_chembl_id": "CHEMBL367625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.90", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-74514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834920", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAC-3-N-BUTYLPHTHALIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834920, "molecule_chembl_id": "CHEMBL248594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "butylphthalide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1OC(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830613", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830613, "molecule_chembl_id": "CHEMBL140220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-64131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830614", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACARBAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830614, "molecule_chembl_id": "CHEMBL139877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFACARBAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830616", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830616, "molecule_chembl_id": "CHEMBL1204354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "0.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-1004.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NCCNS(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835579", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMOIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835579, "molecule_chembl_id": "CHEMBL177880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.38", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pamoic acid disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0734", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830680", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA CAROTENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830680, "molecule_chembl_id": "CHEMBL1293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.89", "alogp": "12.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BETA-CAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834661", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834661, "molecule_chembl_id": "CHEMBL4303337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "TBOA-(DL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)[C@@H](OCc1ccccc1)C(=O)O.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829883, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALDECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834768", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "28.62 \u00b1 4.97", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "KETOCONAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834768, "molecule_chembl_id": "CHEMBL157101", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "KETOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28620.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELNACRINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829967, "molecule_chembl_id": "CHEMBL23455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.34", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYTACRINE-MALEATE-(R,S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829886", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829886, "molecule_chembl_id": "CHEMBL45281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.20", "alogp": "6.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NBI-27914"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834778", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "18.07 \u00b1 1.67", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834778, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18070.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830217", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUBITECAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830217, "molecule_chembl_id": "CHEMBL77305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.36", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RUBITECAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834987", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMFENAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834987, "molecule_chembl_id": "CHEMBL1077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2148", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834989", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834989, "molecule_chembl_id": "CHEMBL334491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.45", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "budipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830597", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRIVASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830597, "molecule_chembl_id": "CHEMBL1224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACRIVASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830602", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERAMIVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830602, "molecule_chembl_id": "CHEMBL139367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PERAMIVIR TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830620", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830620, "molecule_chembl_id": "CHEMBL343822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.44", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMP-543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835326", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.187262282,-0.135338039)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIQUIMOD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835326, "molecule_chembl_id": "CHEMBL1282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imiquimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835636", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835636, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pimozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835638", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPAMPERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835638, "molecule_chembl_id": "CHEMBL440294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.49", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "pipamperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.123", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830631", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIBOSEROD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830631, "molecule_chembl_id": "CHEMBL356359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PIBOSEROD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834883, "molecule_chembl_id": "CHEMBL633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.32", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "amiodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830044", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830044, "molecule_chembl_id": "CHEMBL57997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.80", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835247", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMPERIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835247, "molecule_chembl_id": "CHEMBL219916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Domperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834684", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.76 \u00b1 0.18", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.12", "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834684, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "REMDESIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "760.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834802", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "26.36 \u00b1 26.02", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834802, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXICONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26360.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834685", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.77 \u00b1 0.11", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.11", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834685, "molecule_chembl_id": "CHEMBL4303661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.82", "alogp": "9.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC1NDSS5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "770.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830102", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAQUINIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830102, "molecule_chembl_id": "CHEMBL66092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.81", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LAQUINIMOD (ABR-215062)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830103", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-NITROSOGLUTATHIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830103, "molecule_chembl_id": "CHEMBL63507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.33", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-NITROSOGLUTATHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835344", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOCAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835344, "molecule_chembl_id": "CHEMBL79", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.34", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LIDOCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830017", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830017, "molecule_chembl_id": "CHEMBL56543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-490"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830134", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830134, "molecule_chembl_id": "CHEMBL69367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835359", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEMANTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835359, "molecule_chembl_id": "CHEMBL807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.31", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Memantine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC3CC(C)(C1)CC(N)(C3)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830028", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830028, "molecule_chembl_id": "CHEMBL294453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "712.04", "alogp": "11.51", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WIN-64338"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829734", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829734, "molecule_chembl_id": "CHEMBL285932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.25", "alogp": "5.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM-251"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835405", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.242006607,-0.011760716)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGALASTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835405, "molecule_chembl_id": "CHEMBL110458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1-deoxygalactonojirimycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835604", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTACONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835604, "molecule_chembl_id": "CHEMBL1201196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.78", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sertaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03803", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830146", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALTROBAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830146, "molecule_chembl_id": "CHEMBL71685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.83", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DALTROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829751", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTARABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829751, "molecule_chembl_id": "CHEMBL803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYTARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835909", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835909, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DIGITOXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2851", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831045", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831045, "molecule_chembl_id": "CHEMBL373428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.36", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UBP-310"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(C[C@H](N)C(=O)O)c(=O)n(Cc2ccsc2C(=O)O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830628", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830628, "molecule_chembl_id": "CHEMBL344127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR46611"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835033", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORNIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835033, "molecule_chembl_id": "CHEMBL1449676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.63", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ornidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1218", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CCl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830328", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830328, "molecule_chembl_id": "CHEMBL93836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VALPROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835311", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUAIFENESIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835311, "molecule_chembl_id": "CHEMBL980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guaifenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2008", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149796", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149796, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICHLORPHENAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149797", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149797, "molecule_chembl_id": "CHEMBL4303294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etimizol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc(C(=O)NC)c1C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153290", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153290, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149356", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW572738X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149356, "molecule_chembl_id": "CHEMBL234838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW572738X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833431", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-833923", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833431, "molecule_chembl_id": "CHEMBL3545403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.58", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BMS-833923 (XL139)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829325", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROSTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829325, "molecule_chembl_id": "CHEMBL548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DINOPROSTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833463", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833463, "molecule_chembl_id": "CHEMBL3622373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.05", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SGC-CBP30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "59.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833184", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833184, "molecule_chembl_id": "CHEMBL2419706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.59", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TNKS656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833212", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRASEMTIV", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833212, "molecule_chembl_id": "CHEMBL3039529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.27", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TIRASEMTIV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc2nc(O)n(C(CC)CC)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831684", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARFILZOMIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831684, "molecule_chembl_id": "CHEMBL451887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "719.92", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CARFILZOMIB (PR-171)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830924", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830924, "molecule_chembl_id": "CHEMBL198582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.47", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SIRTINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831150", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831150, "molecule_chembl_id": "CHEMBL234432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "-3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCOSAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836055", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROSPIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836055, "molecule_chembl_id": "CHEMBL1888176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.52", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trospium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08693", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836056", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TULOBUTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836056, "molecule_chembl_id": "CHEMBL1159717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.74", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tulobuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01366", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGNENOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831238, "molecule_chembl_id": "CHEMBL253363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PREGNENOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828762", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPIROXICAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828762, "molecule_chembl_id": "CHEMBL1566249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampiroxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.003757", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834042", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANGAFODIPIR TRISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834042, "molecule_chembl_id": "CHEMBL2096651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "755.31", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "MANGAFODIPIR (TRISODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838736", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.67", "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838736, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2137.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835898", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835898, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833220", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833220, "molecule_chembl_id": "CHEMBL3092537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME-0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829256", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829256, "molecule_chembl_id": "CHEMBL275443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-METHYLHISTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc[nH]c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832047", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE MAGNESIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832047, "molecule_chembl_id": "CHEMBL2146133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.14", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEXIUM (ESOMEPRAZOLE MAGNESIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830959", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830959, "molecule_chembl_id": "CHEMBL377312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.92", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2C[N@]3CC[C@H]2CC3)c1-c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829684", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(D)-SERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829684, "molecule_chembl_id": "CHEMBL285123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.09", "alogp": "-1.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-SERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828297", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828297, "molecule_chembl_id": "CHEMBL4303441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.53", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alogliptin benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(C2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828466", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828466, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mebendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1013", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831875", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALRUBICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831875, "molecule_chembl_id": "CHEMBL1096885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "723.65", "alogp": "2.46", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "VALRUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827836", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCLOMIPHENE CITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827836, "molecule_chembl_id": "CHEMBL1200667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "(Z,E) Clomiphene citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833971", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADOBUTROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833971, "molecule_chembl_id": "CHEMBL2218860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "604.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "GADOBUTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829138", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829138, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MELATONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834184", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834184, "molecule_chembl_id": "CHEMBL307261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTENIMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829675", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPHAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829675, "molecule_chembl_id": "CHEMBL1706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPHAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834790", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "31.91 \u00b1 10.99", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834790, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIDOFLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31910.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835457", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGATROBAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835457, "molecule_chembl_id": "CHEMBL1166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Argatroban Monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1407", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831556", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE HEMISUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831556, "molecule_chembl_id": "CHEMBL485659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.52", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PREDNISOLONE HEMISUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838993", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838993, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834126", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFOSCERIL PALMITATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834126, "molecule_chembl_id": "CHEMBL1200737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "734.05", "alogp": "10.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "COLFOSCERIL-PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838992", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL SHARP FALL OFF AT 10 UM, CELLS 75% MAYBE OFF TARGET?", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.58", "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838992, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26302.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834488", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APTO-253", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834488, "molecule_chembl_id": "CHEMBL4297261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.39", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "APTO-253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833767", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833767, "molecule_chembl_id": "CHEMBL4303336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.95", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TROPESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(C(=O)O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829165", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829165, "molecule_chembl_id": "CHEMBL1557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833868", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833868, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "HALOFANTRINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834144", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALIPERIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834144, "molecule_chembl_id": "CHEMBL1621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALIPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829446", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOMEPIRAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829446, "molecule_chembl_id": "CHEMBL19490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.73", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOMEPIRAC SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833937", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833937, "molecule_chembl_id": "CHEMBL3039603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.16", "alogp": "-3.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HEXONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(O)C(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829559", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHADIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829559, "molecule_chembl_id": "CHEMBL695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.14", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)OC(C)(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833961", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833961, "molecule_chembl_id": "CHEMBL4303634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-HYDROXY-3-PHENYLPENTANAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(O)(CC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829267", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMCAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829267, "molecule_chembl_id": "CHEMBL2362766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.39", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIMCAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834341", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834341, "molecule_chembl_id": "CHEMBL4303704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.06", "alogp": "1.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIOSCIN (COLLETTISIDE III)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834389, "molecule_chembl_id": "CHEMBL4303676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1046.20", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ANGIOTENSIN II HUMAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828042", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUAIACOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828042, "molecule_chembl_id": "CHEMBL13766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Guaiacol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832749", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOLEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832749, "molecule_chembl_id": "CHEMBL1908361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CALCIUM LEVOFOLINATE (CALCIUM FOLINATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828864", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828864, "molecule_chembl_id": "CHEMBL1377952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Alclometasone dipropionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3547", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829982", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTHRON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829982, "molecule_chembl_id": "CHEMBL53418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DANTHRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834408", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834408, "molecule_chembl_id": "CHEMBL4303619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.48", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-KIT-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cc(Oc3cc(F)c(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829709", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829709, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834040", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIAPENEM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834040, "molecule_chembl_id": "CHEMBL285347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "-1.89", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BIAPENEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832859", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832859, "molecule_chembl_id": "CHEMBL2062804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.58", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEP33779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829482", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829482, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829151", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APOMORPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829151, "molecule_chembl_id": "CHEMBL1616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APOMORPHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829156", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829156, "molecule_chembl_id": "CHEMBL505765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-HYDROXY-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCCN(CCC)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833860", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833860, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPRONIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830038", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMILORIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830038, "molecule_chembl_id": "CHEMBL1398126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.12", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMILORIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834346", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834346, "molecule_chembl_id": "CHEMBL4303327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.33", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK 3311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829646", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DERACOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829646, "molecule_chembl_id": "CHEMBL28636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DERACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834749", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "> 20", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834749, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830664", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVETIRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830664, "molecule_chembl_id": "CHEMBL1286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829761", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829761, "molecule_chembl_id": "CHEMBL284969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.81", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-CHLORO-N6-CYCLOPENTYLADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834467", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834467, "molecule_chembl_id": "CHEMBL1256141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-7142"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829768", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROPIRIMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829768, "molecule_chembl_id": "CHEMBL37387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.10", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROPIRIMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c(Br)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830825", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830825, "molecule_chembl_id": "CHEMBL1615374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.00", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835539", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANCURONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835539, "molecule_chembl_id": "CHEMBL185073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.88", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "79"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829782", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829782, "molecule_chembl_id": "CHEMBL817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLAZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834483", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834483, "molecule_chembl_id": "CHEMBL4303550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.28", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TY-52156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=N/c1ccc(Cl)cc1)NNc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829785", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829785, "molecule_chembl_id": "CHEMBL36326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.45", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-144053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833682", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833682, "molecule_chembl_id": "CHEMBL4303548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.50", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANA-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOSEQUINAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834035, "molecule_chembl_id": "CHEMBL1908307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLOSEQUINAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835789", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAFINAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835789, "molecule_chembl_id": "CHEMBL396778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Safinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04637", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835573", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXATOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835573, "molecule_chembl_id": "CHEMBL13828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxatomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02938", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829583", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829583, "molecule_chembl_id": "CHEMBL1364551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINAPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829265", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMMA-AMINOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829265, "molecule_chembl_id": "CHEMBL96", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "103.12", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GAMMA-AMINOBUTYRIC ACID HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834166", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834166, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834234", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834234, "molecule_chembl_id": "CHEMBL4303684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK-5099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cn(-c2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833877", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPENZOLATE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833877, "molecule_chembl_id": "CHEMBL1401367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPENZOLATE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828251", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOXOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828251, "molecule_chembl_id": "CHEMBL442687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.17", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tioxolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2cc(O)ccc2s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833741", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFINACONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833741, "molecule_chembl_id": "CHEMBL2103877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EFINACONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829044", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829044, "molecule_chembl_id": "CHEMBL542414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.86", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829356", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEOYLETHANOLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829356, "molecule_chembl_id": "CHEMBL280065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.54", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEOYLETHANOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829050", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829050, "molecule_chembl_id": "CHEMBL267678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.41", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A205804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833761", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEMECLOCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833761, "molecule_chembl_id": "CHEMBL1200474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.32", "alogp": "0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEMECLOCYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833762", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPODOXIME PROXETIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833762, "molecule_chembl_id": "CHEMBL1201016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.61", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFPODOXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829372", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829372, "molecule_chembl_id": "CHEMBL1201102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.89", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRIFLUPROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829162", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EGLUMETAD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829162, "molecule_chembl_id": "CHEMBL8759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1; LY354740"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833862", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOMID-529", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833862, "molecule_chembl_id": "CHEMBL2141712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PALOMID 529"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833853", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833853, "molecule_chembl_id": "CHEMBL3039230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1422.72", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BACITRACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NCCCCC2NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832955", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASUNAPREVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832955, "molecule_chembl_id": "CHEMBL2105735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "748.30", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ASUNAPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829488", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829488, "molecule_chembl_id": "CHEMBL1200964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMITRIPTYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829158", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829158, "molecule_chembl_id": "CHEMBL1256701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAN-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828365", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPIRINAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828365, "molecule_chembl_id": "CHEMBL2105300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.39", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Repirinast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3166", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829288", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLBUTAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829288, "molecule_chembl_id": "CHEMBL101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYLBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828702", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOFENIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828702, "molecule_chembl_id": "CHEMBL141305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.44", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cyclofenil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147793", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147793, "molecule_chembl_id": "CHEMBL307639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMPX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINDANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152452, "molecule_chembl_id": "CHEMBL15891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.83", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINDANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154336", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.94", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154336, "molecule_chembl_id": "CHEMBL365141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.61", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "U-18666A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149835", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURVALANOL B", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149835, "molecule_chembl_id": "CHEMBL23254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.91", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURVALANOL B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150140", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150140, "molecule_chembl_id": "CHEMBL1200729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.19", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMPHENICOL SODIUM SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152282", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPEXIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152282, "molecule_chembl_id": "CHEMBL1377408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPEXIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152491", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152491, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148183", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148183, "molecule_chembl_id": "CHEMBL2357012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-anilinopropan-1-ol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152306", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMRICASAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152306, "molecule_chembl_id": "CHEMBL197672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.51", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "EMRICASAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152314", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANGERETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152314, "molecule_chembl_id": "CHEMBL73930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.37", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tangeretin (Tangeritin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147482", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINFLUMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147482, "molecule_chembl_id": "CHEMBL132663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.23", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinflumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(F)c1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147287", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147287, "molecule_chembl_id": "CHEMBL269646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.43", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=C(\\NC#N)NCCSCc1csc(N=C(N)N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147459", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGOBUVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147459, "molecule_chembl_id": "CHEMBL1957287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tegobuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151886", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151886, "molecule_chembl_id": "CHEMBL409038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.76", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIM-1-Inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147309", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147309, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151812", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOTESANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151812, "molecule_chembl_id": "CHEMBL572881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOTESANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148387", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERAQUINE TETRAPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148387, "molecule_chembl_id": "CHEMBL1652442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "927.50", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "1;3-Bis[4-(7-chloro-4-quinolinyl)-1-piperazinyl]propane tetraphosphate tetrahydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153457", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153457, "molecule_chembl_id": "CHEMBL3814815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.76", "alogp": "6.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY2955303"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2ccc(-n3nc(-c4ccc(C(=O)O)cc4)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149111", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENINDIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149111, "molecule_chembl_id": "CHEMBL711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148810", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148810, "molecule_chembl_id": "CHEMBL1443163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.37", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "o-3M3FBS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153169", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELINEXOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153169, "molecule_chembl_id": "CHEMBL3545185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.31", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Selinexor (KPT-330)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147354", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147354, "molecule_chembl_id": "CHEMBL1236602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-urocanic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151500", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151500, "molecule_chembl_id": "CHEMBL513599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.30", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-K-8644-(s)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147473", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANAPROGET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147473, "molecule_chembl_id": "CHEMBL539163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanaproget"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831079", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETROZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831079, "molecule_chembl_id": "CHEMBL1444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.31", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LETROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835671", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSALBUTAMOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835671, "molecule_chembl_id": "CHEMBL1002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levalbuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146978", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILDAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146978, "molecule_chembl_id": "CHEMBL142703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "vildagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151708", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151708, "molecule_chembl_id": "CHEMBL2398111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.92", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PT 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/C=C3/S/C(=N\\c4ccc(Cl)c(C(=O)O)c4)NC3=O)o2)c([N+](=O)[O-])cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147351", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147351, "molecule_chembl_id": "CHEMBL505765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-hydroxy-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCCN(CCC)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146945", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146945, "molecule_chembl_id": "CHEMBL3342358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.91", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146946", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAMBUTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146946, "molecule_chembl_id": "CHEMBL521589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BAMBUTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151743", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALADEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151743, "molecule_chembl_id": "CHEMBL2142592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALADEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151895", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVANIB ALANINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151895, "molecule_chembl_id": "CHEMBL270995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Brivanib alaninate (BMS-582664)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151898", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151898, "molecule_chembl_id": "CHEMBL85194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-200646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147393", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147393, "molecule_chembl_id": "CHEMBL576817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.23", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP 57380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(Nc1ccc(F)cc1)N=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152116", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAFIRLUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152116, "molecule_chembl_id": "CHEMBL603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.69", "alogp": "5.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Zafirlukast (Accolate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147653", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147653, "molecule_chembl_id": "CHEMBL43185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.34", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Piperine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152162", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOSETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152162, "molecule_chembl_id": "CHEMBL1110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.36", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOSETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147735", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147735, "molecule_chembl_id": "CHEMBL566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "112.09", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uracil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADOBUTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147737, "molecule_chembl_id": "CHEMBL2218860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "604.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Gadobutrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147739", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANOCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147739, "molecule_chembl_id": "CHEMBL1555126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.84", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lanoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152169", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYSAFFLOR YELLOW A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152169, "molecule_chembl_id": "CHEMBL1172243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.54", "alogp": "-4.40", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Hydroxysafflor yellow A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153089", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAE-684", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153089, "molecule_chembl_id": "CHEMBL509032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.22", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAE684 (NVP-TAE684)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152002", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESFLURBIPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152002, "molecule_chembl_id": "CHEMBL435298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Flurbiprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152004", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152004, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib (INCB018424)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151893", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151893, "molecule_chembl_id": "CHEMBL105318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.22", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Alovudine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147388", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETIPTILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147388, "molecule_chembl_id": "CHEMBL2104895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Setiptiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)c1ccccc1Cc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147299", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-194603", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147299, "molecule_chembl_id": "CHEMBL269366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-19-4605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147300", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALBOCICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147300, "molecule_chembl_id": "CHEMBL189963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.54", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALBOCICLIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152010", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152010, "molecule_chembl_id": "CHEMBL1256844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.96", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-269970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147514", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEPTAMINOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147514, "molecule_chembl_id": "CHEMBL2107282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.71", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEPTAMINOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)CCCC(C)(C)O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148310", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148310, "molecule_chembl_id": "CHEMBL114898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYM-2206"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152290", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152290, "molecule_chembl_id": "CHEMBL426123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153130", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153130, "molecule_chembl_id": "CHEMBL4303177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.92", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK8745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151155", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151155, "molecule_chembl_id": "CHEMBL261454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY364947"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955723", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOBUTYRAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955723, "molecule_chembl_id": "CHEMBL352219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "87.12", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isobutyramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-110.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146063", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146063, "molecule_chembl_id": "CHEMBL1522836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.37", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BUCLADESINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958750", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958750, "molecule_chembl_id": "CHEMBL366563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "-0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Cystine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CSSCC(N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958753", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958753, "molecule_chembl_id": "CHEMBL1433455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-21009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)c1cc2c(OC[C@@H](O)CNC(C)(C)C)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150432", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROPALMATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150432, "molecule_chembl_id": "CHEMBL487182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.43", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rotundine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963227", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLPARABEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963227, "molecule_chembl_id": "CHEMBL325372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methylparaben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.846", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958626", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958626, "molecule_chembl_id": "CHEMBL1082832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.30", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-K-8644-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-87.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151307", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151307, "molecule_chembl_id": "CHEMBL3182951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.83", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LORNOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146468", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146468, "molecule_chembl_id": "CHEMBL20377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146806", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRAGLUTIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146806, "molecule_chembl_id": "CHEMBL4524066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "3753.28", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Liraglutide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146811", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOXISTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146811, "molecule_chembl_id": "CHEMBL63440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloxistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147097", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANAPROGET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147097, "molecule_chembl_id": "CHEMBL539163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanaproget"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960375", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IXAZOMIB CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960375, "molecule_chembl_id": "CHEMBL3545432", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836132", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB CITRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836132, "molecule_chembl_id": "CHEMBL3545432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "MLN9708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146448", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146448, "molecule_chembl_id": "CHEMBL437765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.75", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifamycin SV Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150963", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150963, "molecule_chembl_id": "CHEMBL1087630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151344", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151344, "molecule_chembl_id": "CHEMBL459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151346", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151346, "molecule_chembl_id": "CHEMBL415511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.81", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 11811"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(I)c(I)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151347", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151347, "molecule_chembl_id": "CHEMBL365617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.82", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-49009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146845", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146845, "molecule_chembl_id": "CHEMBL291536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-334867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146848", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146848, "molecule_chembl_id": "CHEMBL348639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylpiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(c2ccccc2)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147045", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147045, "molecule_chembl_id": "CHEMBL1451838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.32", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dicyclohexylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(NC2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832735", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBURNINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832735, "molecule_chembl_id": "CHEMBL1892145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-EBURNAMONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-34.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828124", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECAMYLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828124, "molecule_chembl_id": "CHEMBL1237082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.76", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mecamylamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1(C)C2CCC(C2)C1(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834292", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOTIFEN FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834292, "molecule_chembl_id": "CHEMBL1633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOTIFEN FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834294", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834294, "molecule_chembl_id": "CHEMBL1188627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-202676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829594", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829594, "molecule_chembl_id": "CHEMBL540612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.01", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834304", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLITHROMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834304, "molecule_chembl_id": "CHEMBL1232510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "845.02", "alogp": "4.60", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "SOLITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835047", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENPROCOUMON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835047, "molecule_chembl_id": "CHEMBL1465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenprocoumon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831075", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831075, "molecule_chembl_id": "CHEMBL224720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "7.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SEW-2871"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831076", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZBROMARONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831076, "molecule_chembl_id": "CHEMBL388590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.09", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZBROMARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835058", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835058, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PKC 412"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02037", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835253", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835253, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1, edaravone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830547", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTACAINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830547, "molecule_chembl_id": "CHEMBL3142544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "710.98", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTACAINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835834", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXAPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835834, "molecule_chembl_id": "CHEMBL1113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amoxapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1027", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835848", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAZOPARIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835848, "molecule_chembl_id": "CHEMBL3137320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.36", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BMN 673"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1593", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152117", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOTHIAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152117, "molecule_chembl_id": "CHEMBL828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.28", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOTHIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152222", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152222, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152159", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VISTUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152159, "molecule_chembl_id": "CHEMBL2336325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vistusertib (AZD2014)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153091", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153091, "molecule_chembl_id": "CHEMBL3907479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.39", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH5183284 (Debio-1347)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153093", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153093, "molecule_chembl_id": "CHEMBL2216827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.51", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNX-774"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828781", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIBEFRADIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828781, "molecule_chembl_id": "CHEMBL45816", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.64", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mibefradil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2948", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829468", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALOTHIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829468, "molecule_chembl_id": "CHEMBL617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEPHALOTHIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833972", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLOXATONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833972, "molecule_chembl_id": "CHEMBL18116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLOXATONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834566", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834566, "molecule_chembl_id": "CHEMBL4303308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834367", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834367, "molecule_chembl_id": "CHEMBL4303575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIS-EXO-CAMPHANEDIOL-2,3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834254", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834254, "molecule_chembl_id": "CHEMBL4303322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.51", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-983970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828014", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALIPERIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828014, "molecule_chembl_id": "CHEMBL1621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALIPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9522", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832809", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMESNA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832809, "molecule_chembl_id": "CHEMBL2104318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.35", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DIMESNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146543", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRACTOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146543, "molecule_chembl_id": "CHEMBL6995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "practolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150539", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150539, "molecule_chembl_id": "CHEMBL36536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.43", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLAUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146447", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOETHARINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146447, "molecule_chembl_id": "CHEMBL1201153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOETHARINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146041", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146041, "molecule_chembl_id": "CHEMBL1258904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPPU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146042", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYACETACIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146042, "molecule_chembl_id": "CHEMBL2106008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "99.09", "alogp": "-1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYACETACIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC(=O)NN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955712", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXAMETHYLENEBISACETAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955712, "molecule_chembl_id": "CHEMBL291481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hexamethylenebisacetamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCCCCNC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960493", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960493, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARTESUNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960496", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960496, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPROBEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955721", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955721, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riboflavin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958741", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOCTIC ACID AMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958741, "molecule_chembl_id": "CHEMBL1403899", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIPOAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151525", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151525, "molecule_chembl_id": "CHEMBL11", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.42", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIPRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963348", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENACAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963348, "molecule_chembl_id": "CHEMBL127123", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/N=C(\\C)Nc2ccc(OCC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963350", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICYLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963350, "molecule_chembl_id": "CHEMBL27577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.787", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958850", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IFENPRODIL TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958850, "molecule_chembl_id": "CHEMBL1256662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ifenprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958749", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958749, "molecule_chembl_id": "CHEMBL3039305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958851", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BICIFADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958851, "molecule_chembl_id": "CHEMBL544862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.72", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bicifadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C23CNCC2C3)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958465", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958465, "molecule_chembl_id": "CHEMBL1598162", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.38", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-333760"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963906", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963906, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959306", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959306, "molecule_chembl_id": "CHEMBL608847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRTAZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151314", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICYCLOMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151314, "molecule_chembl_id": "CHEMBL1200479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.96", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICYCLOMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150978", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150978, "molecule_chembl_id": "CHEMBL1361347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.85", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clopamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151337", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LATREPIRDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151337, "molecule_chembl_id": "CHEMBL2105703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.37", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "latrepirdine; Dimebon dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147579, "molecule_chembl_id": "CHEMBL1874407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alfadolone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147584", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-256066", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147584, "molecule_chembl_id": "CHEMBL570015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.60", "alogp": "3.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GSK256066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148983", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCODAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148983, "molecule_chembl_id": "CHEMBL596009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROCODAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963830", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OGLEMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963830, "molecule_chembl_id": "CHEMBL4297520", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.31", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Oglemilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151977", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151977, "molecule_chembl_id": "CHEMBL3785668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.87", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BET-BAY 002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152808", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMINERTANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152808, "molecule_chembl_id": "CHEMBL506981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.08", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "meclinertant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828965", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISKIREN FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828965, "molecule_chembl_id": "CHEMBL1667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "667.84", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Aliskiren hemifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834078", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834078, "molecule_chembl_id": "CHEMBL1908396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.55", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI-20227"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834508", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834508, "molecule_chembl_id": "CHEMBL2403319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.63", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LOMIBUVIR (VX-222, VCH-222)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@@H](O)CC2)c(C(=O)O)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833964", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833964, "molecule_chembl_id": "CHEMBL4303696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFLORASONE DIACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-32.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832731", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832731, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACTARIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835439", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTHIAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835439, "molecule_chembl_id": "CHEMBL599870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.90", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "althiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830345", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZOLASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830345, "molecule_chembl_id": "CHEMBL94454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIZOLASTINE (MIZOLLEN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830048", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROXIMONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830048, "molecule_chembl_id": "CHEMBL58355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.23", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROXIMONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830050", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830050, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831053", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831053, "molecule_chembl_id": "CHEMBL283053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUCLOXACILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831057", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831057, "molecule_chembl_id": "CHEMBL223482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.24", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSI-6130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835935", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELBASVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835935, "molecule_chembl_id": "CHEMBL3039514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "882.03", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "elbasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146792", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXAPROZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146792, "molecule_chembl_id": "CHEMBL1071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.32", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXAPROZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146798", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146798, "molecule_chembl_id": "CHEMBL262202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.77", "alogp": "-0.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FMRFamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963230", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963230, "molecule_chembl_id": "CHEMBL393929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151217", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORLATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151217, "molecule_chembl_id": "CHEMBL3286830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lorlatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959303", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRANOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959303, "molecule_chembl_id": "CHEMBL367463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pranoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.971", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151505", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CTS-1027", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151505, "molecule_chembl_id": "CHEMBL440498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.89", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CTS-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148093", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148093, "molecule_chembl_id": "CHEMBL3039468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.91", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYPROTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148219", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148219, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148126", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148126, "molecule_chembl_id": "CHEMBL1234616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "665.45", "alogp": "-2.69", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "coenzyme-i"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1=CN([C@@H]2O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148221", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SQ109", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148221, "molecule_chembl_id": "CHEMBL561057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.56", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SQ109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152828", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152828, "molecule_chembl_id": "CHEMBL3828191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK6853"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAVOXERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957883, "molecule_chembl_id": "CHEMBL3544964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962485", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRILANESTRANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962485, "molecule_chembl_id": "CHEMBL3581693", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "6.82", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BRILANESTRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147162", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147162, "molecule_chembl_id": "CHEMBL1494883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.48", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "profenamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOLEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964035, "molecule_chembl_id": "CHEMBL1908361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcium levofolinate (Calcium Folinate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957280", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOCARBAMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957280, "molecule_chembl_id": "CHEMBL1201117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOCARBAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957845", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALNETANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957845, "molecule_chembl_id": "CHEMBL10188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALNETANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962448", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962448, "molecule_chembl_id": "CHEMBL2336409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.53", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGI-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.826", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957917", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARAVIROC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957917, "molecule_chembl_id": "CHEMBL1201187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MARAVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956335", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956335, "molecule_chembl_id": "CHEMBL4460029", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.38", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Pyr10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963943", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUTAECARPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963943, "molecule_chembl_id": "CHEMBL85139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.32", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rutaecarpine (Rutecarpine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.638", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959762", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX]", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959762, "molecule_chembl_id": "CHEMBL183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DPCPX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.462", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961276", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACARBAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961276, "molecule_chembl_id": "CHEMBL476", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.19", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DACARBAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955590", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENZASTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955590, "molecule_chembl_id": "CHEMBL300138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.62", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Enzastaurin hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961073", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELETRIPTAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961073, "molecule_chembl_id": "CHEMBL1201003", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.44", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eletriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964405", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964405, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957079", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957079, "molecule_chembl_id": "CHEMBL1672571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.33", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kb NB 142-70"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCSc2c1sc1ccc(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960235", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960235, "molecule_chembl_id": "CHEMBL1874002", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "702.90", "alogp": "4.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sulbutiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(\\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962785", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962785, "molecule_chembl_id": "CHEMBL3393145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.53", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adiporon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957909", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFACTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957909, "molecule_chembl_id": "CHEMBL3137331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.50", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DEFACTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962340", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962340, "molecule_chembl_id": "CHEMBL261641", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.10", "alogp": "3.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SU11274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.722", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148154", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURVALANOL B", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148154, "molecule_chembl_id": "CHEMBL23254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.91", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "purvalanol-b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148294", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148294, "molecule_chembl_id": "CHEMBL1255832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.70", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU-224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2nc(C3=NCCN3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963292", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUBITECAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963292, "molecule_chembl_id": "CHEMBL77305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.36", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "rubitecan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148020", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANSTORINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148020, "molecule_chembl_id": "CHEMBL299155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "kynurenic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962852", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962852, "molecule_chembl_id": "CHEMBL4303415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "-2.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LM-22A4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147416", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147416, "molecule_chembl_id": "CHEMBL1650237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "101.13", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminothiadiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nncs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152369", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEMATOXYLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152369, "molecule_chembl_id": "CHEMBL477197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hematoxylin (Hydroxybrazilin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958610", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958610, "molecule_chembl_id": "CHEMBL3039046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.48", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RIBOSTAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958690", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958690, "molecule_chembl_id": "CHEMBL59461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Argatroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962930", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCYANIDIN B1", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962930, "molecule_chembl_id": "CHEMBL504937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "578.53", "alogp": "3.00", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Procyanidin B2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.564", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957967, "molecule_chembl_id": "CHEMBL3741589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.24", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-971432"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957973", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957973, "molecule_chembl_id": "CHEMBL483688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.02", "alogp": "2.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSB 603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151657", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151657, "molecule_chembl_id": "CHEMBL337301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.44", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-806 (BMS 378806)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961878", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961878, "molecule_chembl_id": "CHEMBL4303190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.67", "alogp": "9.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Pentacosanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.435", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149160", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149160, "molecule_chembl_id": "CHEMBL4303213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.44", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methylnaltrexone (Bromide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147461", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147461, "molecule_chembl_id": "CHEMBL2391908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.77", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-54626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152581", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152581, "molecule_chembl_id": "CHEMBL4224714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX-647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962973", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRONARIDINE TETRAPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962973, "molecule_chembl_id": "CHEMBL2095224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "910.04", "alogp": "6.09", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "PYRONARIDINE TETRAPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153398", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153398, "molecule_chembl_id": "CHEMBL149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.51", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naltrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148905", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148905, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyl nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153663", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153663, "molecule_chembl_id": "CHEMBL490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.37", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "[3H]PAROXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149775", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALINOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149775, "molecule_chembl_id": "CHEMBL152067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.50", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Talinolol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149181", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149181, "molecule_chembl_id": "CHEMBL888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.20", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemzar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149183", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-CARYOPHYLLENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149183, "molecule_chembl_id": "CHEMBL445740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(E)-Caryophyllene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC/C=C(\\C)CC[C@@H]2[C@@H]1CC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150128", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150128, "molecule_chembl_id": "CHEMBL342033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.43", "alogp": "0.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NBTGR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154116", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILENGITIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154116, "molecule_chembl_id": "CHEMBL429876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.67", "alogp": "-2.18", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CILENGITIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154642", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154642, "molecule_chembl_id": "CHEMBL3393171", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "242.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thienopyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.27", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149641", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149641, "molecule_chembl_id": "CHEMBL1551336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.14", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGH2466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150193", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150193, "molecule_chembl_id": "CHEMBL2361504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.12", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyridoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CN)c1O.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149668", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECLOFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149668, "molecule_chembl_id": "CHEMBL93645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACECLOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150196", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XAMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150196, "molecule_chembl_id": "CHEMBL2104466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.46", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xamoterol fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149691", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ODANACATIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149691, "molecule_chembl_id": "CHEMBL481611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.57", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ODANACATIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154145", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SANGUINARIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154145, "molecule_chembl_id": "CHEMBL490129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANGUINARIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153612", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153612, "molecule_chembl_id": "CHEMBL193872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.57", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD011561"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148885", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECAMYLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148885, "molecule_chembl_id": "CHEMBL267936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.30", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mecamylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1(C)C2CCC(C2)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149440", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAREBASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149440, "molecule_chembl_id": "CHEMBL67654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.65", "alogp": "6.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Carebastine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153737, "molecule_chembl_id": "CHEMBL508280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.38", "alogp": "2.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI-78D3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148778", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPIROXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148778, "molecule_chembl_id": "CHEMBL1566249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampiroxicam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148708", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEXAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148708, "molecule_chembl_id": "CHEMBL2105922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acexamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148711", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148711, "molecule_chembl_id": "CHEMBL2361429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.63", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "linsidomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c[n+](N2CCOCC2)no1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154402", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154402, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fenretinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10540.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153998", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLBENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153998, "molecule_chembl_id": "CHEMBL1321398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.12", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "METHYLBENZETHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149083", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTACOSANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149083, "molecule_chembl_id": "CHEMBL1951714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.77", "alogp": "10.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1-Octacosanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153690", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGLUMETACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153690, "molecule_chembl_id": "CHEMBL2105825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "844.45", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Proglumetacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955937", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXAPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955937, "molecule_chembl_id": "CHEMBL1754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.52", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doxapram hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955525", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINACALCET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955525, "molecule_chembl_id": "CHEMBL1201284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinacalcet hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963885", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOXIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963885, "molecule_chembl_id": "CHEMBL571209", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "indoximod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.024", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963893", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORAPAXAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963893, "molecule_chembl_id": "CHEMBL493982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.59", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "vorapaxar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956641", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOVITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956641, "molecule_chembl_id": "CHEMBL522892", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOVITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959463", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOBUTAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959463, "molecule_chembl_id": "CHEMBL1200418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dobutamine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955791", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOXAL PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955791, "molecule_chembl_id": "CHEMBL82202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.14", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pyridoxal phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(COP(=O)(O)O)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959892", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CI-1040", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959892, "molecule_chembl_id": "CHEMBL105442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.66", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CI-1040 (PD184352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955571", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955571, "molecule_chembl_id": "CHEMBL508094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-1101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](C)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960244", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXAVERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960244, "molecule_chembl_id": "CHEMBL2105060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Moxaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960652", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARIMASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960652, "molecule_chembl_id": "CHEMBL279785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.41", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Marimastat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964463", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APOMORPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964463, "molecule_chembl_id": "CHEMBL1616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APOMORPHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960213", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960213, "molecule_chembl_id": "CHEMBL4303316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAMI-633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.788", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964479", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964479, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960716", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960716, "molecule_chembl_id": "CHEMBL294453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "712.04", "alogp": "11.51", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WIN-64338"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960671", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960671, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964076", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BECLOMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964076, "molecule_chembl_id": "CHEMBL1200500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BECLOMETHASONE DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964325", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964325, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960697", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960697, "molecule_chembl_id": "CHEMBL2426369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-926"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.883", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(Br)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959122", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959122, "molecule_chembl_id": "CHEMBL2448118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.96", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DONEPEZIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960724", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHRYSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960724, "molecule_chembl_id": "CHEMBL117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chrysin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NATAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963758, "molecule_chembl_id": "CHEMBL1200656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "665.73", "alogp": "0.12", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "natamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961414", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961414, "molecule_chembl_id": "CHEMBL1822336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GK921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.376", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959831", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ECABET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959831, "molecule_chembl_id": "CHEMBL2104585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.51", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ecabet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959457", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959457, "molecule_chembl_id": "CHEMBL575122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TNP-470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960011", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960011, "molecule_chembl_id": "CHEMBL223482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.24", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSI-6130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959894, "molecule_chembl_id": "CHEMBL2397386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.93", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NGB-2904"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960016", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMIPALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960016, "molecule_chembl_id": "CHEMBL1236962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.51", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Omipalisib (GSK2126458; GSK458)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959888", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959888, "molecule_chembl_id": "CHEMBL3526436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEBIVOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959895", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RISEDRONATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959895, "molecule_chembl_id": "CHEMBL1654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.10", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISEDRONATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960025", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FALECALCITRIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960025, "molecule_chembl_id": "CHEMBL2106158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.59", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Falecalcitriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955570", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADRAFINIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955570, "molecule_chembl_id": "CHEMBL93077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.36", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrafinil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960238, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956455", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXFOSFOSERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956455, "molecule_chembl_id": "CHEMBL284377", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.07", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-Phospho-L-Serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](COP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960658", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUFENTANIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960658, "molecule_chembl_id": "CHEMBL658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sufentanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960663", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETOHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960663, "molecule_chembl_id": "CHEMBL734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "75.07", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHYDROXAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959754", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959754, "molecule_chembl_id": "CHEMBL231616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.25", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.616", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1ncccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964368", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.09", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964368, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961158", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961158, "molecule_chembl_id": "CHEMBL3188597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962788", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962788, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluocinonide (Vanos)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958380", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958380, "molecule_chembl_id": "CHEMBL1297", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962947", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962947, "molecule_chembl_id": "CHEMBL75773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.35", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961687", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961687, "molecule_chembl_id": "CHEMBL3940985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-H-106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956724", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956724, "molecule_chembl_id": "CHEMBL360055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.83", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GALLAMINE TRIETHIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963023", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963023, "molecule_chembl_id": "CHEMBL2036730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.45", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3988"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.321", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958776", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958776, "molecule_chembl_id": "CHEMBL1603534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAMBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956733", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956733, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MUBRITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956739", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956739, "molecule_chembl_id": "CHEMBL941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "493.62", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956740", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956740, "molecule_chembl_id": "CHEMBL259551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.35", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR 180204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963393", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963393, "molecule_chembl_id": "CHEMBL4303339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Semagacestat (LY450139)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.616", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957570", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETREXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957570, "molecule_chembl_id": "CHEMBL119", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962176", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARUSENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962176, "molecule_chembl_id": "CHEMBL23261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "darusentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957809", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLIBANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957809, "molecule_chembl_id": "CHEMBL231068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLIBANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958932", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPREOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958932, "molecule_chembl_id": "CHEMBL2218913", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1517.59", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Capreomycin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963543", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLBUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963543, "molecule_chembl_id": "CHEMBL782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.35", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLBUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963555, "molecule_chembl_id": "CHEMBL1098726", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "536.38", "alogp": "4.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-688521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.626", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958952, "molecule_chembl_id": "CHEMBL3133036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU-SKI-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957847", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIFLUPREDNATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957847, "molecule_chembl_id": "CHEMBL1201749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DIFLUPREDNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955938", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955938, "molecule_chembl_id": "CHEMBL2106178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tromaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959271", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959271, "molecule_chembl_id": "CHEMBL143181", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.35", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-226600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961367", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KENPAULLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961367, "molecule_chembl_id": "CHEMBL296586", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.18", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kenpaullone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959105", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYANOPINDOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959105, "molecule_chembl_id": "CHEMBL378501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyanopindolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961389, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.211", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959291", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959291, "molecule_chembl_id": "CHEMBL95121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY266097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963817", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963817, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VX-745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2704", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964449", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOCANLIDIC ACID", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964449, "molecule_chembl_id": "CHEMBL128251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.40", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "omega-(4-Iodophenyl)pentadecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCCCCCCCc1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961252", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961252, "molecule_chembl_id": "CHEMBL260563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEMADO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.386", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOECHST 33258", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960452, "molecule_chembl_id": "CHEMBL301735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.51", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hoechst 33258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-83.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955688", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCTANOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955688, "molecule_chembl_id": "CHEMBL324846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Caprylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963926", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RONIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963926, "molecule_chembl_id": "CHEMBL290299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.15", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c([N+](=O)[O-])cnc1COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963928", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963928, "molecule_chembl_id": "CHEMBL4303589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.25", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NS-11021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nnn[nH]2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961452, "molecule_chembl_id": "CHEMBL4303625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-118804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4cccnc4)cc3)oc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961570", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961570, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EZETIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05255", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959784", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959784, "molecule_chembl_id": "CHEMBL3970532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG2833 (RGFP109)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956416", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEDISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956416, "molecule_chembl_id": "CHEMBL4297629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.92", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "M3814"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961150", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961150, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISULFIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964366", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964366, "molecule_chembl_id": "CHEMBL1374426", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCN1C(=O)C=CC1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961156", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEMETREXED DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961156, "molecule_chembl_id": "CHEMBL2360464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.38", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEMETREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964470", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICEATANNOL", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964470, "molecule_chembl_id": "CHEMBL69863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piceatannol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959623", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREDNISOLONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959623, "molecule_chembl_id": "CHEMBL1201014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE SODIUM PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960226", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZALTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960226, "molecule_chembl_id": "CHEMBL70209", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.28", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaltidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2csc(N=C(N)N)n2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956486", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GAMMA-AMINOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956486, "molecule_chembl_id": "CHEMBL96", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "103.12", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "4-Aminobutyric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962179", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962179, "molecule_chembl_id": "CHEMBL310871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.68", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMP 777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963351", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963351, "molecule_chembl_id": "CHEMBL4303656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.36", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Leu-Leu-OMe_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962056", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962056, "molecule_chembl_id": "CHEMBL3310197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.372", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962057", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962057, "molecule_chembl_id": "CHEMBL2110370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-159897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962829", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962829, "molecule_chembl_id": "CHEMBL3182208", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.56", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trap-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.965", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957493", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957493, "molecule_chembl_id": "CHEMBL4515390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.42", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRT 0066101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958919", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHOTOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958919, "molecule_chembl_id": "CHEMBL1095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethotoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963549", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OTILONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963549, "molecule_chembl_id": "CHEMBL2103773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.58", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Otilonium Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959058", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959058, "molecule_chembl_id": "CHEMBL3039057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.66", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CHOLESTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIZATRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958555, "molecule_chembl_id": "CHEMBL905", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.35", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIZATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963670", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963670, "molecule_chembl_id": "CHEMBL3115681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ON123300"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963676", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963676, "molecule_chembl_id": "CHEMBL1474985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.24", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-198306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEMPEDOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962555, "molecule_chembl_id": "CHEMBL3545313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETC-1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962568", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACIPIMOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962568, "molecule_chembl_id": "CHEMBL345714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACIPIMOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)O)c[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957873", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957873, "molecule_chembl_id": "CHEMBL608154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.81", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MLN120B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962524", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANETHIDINE MONOSULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962524, "molecule_chembl_id": "CHEMBL1345", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANETHIDINE MONOSULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961372", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDEBENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961372, "molecule_chembl_id": "CHEMBL252556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDEBENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956610", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956610, "molecule_chembl_id": "CHEMBL3186656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.97", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-5274857"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959833", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COBIMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959833, "molecule_chembl_id": "CHEMBL2146883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "531.32", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cobimetinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.591", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956358", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956358, "molecule_chembl_id": "CHEMBL3104250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.91", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SP2509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964447", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAY-11-7085", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964447, "molecule_chembl_id": "CHEMBL270299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956649", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956649, "molecule_chembl_id": "CHEMBL4086276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.48", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-299"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960190", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960190, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOFUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.256", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959989", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959989, "molecule_chembl_id": "CHEMBL4303423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.55", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "17-PA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961075", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961075, "molecule_chembl_id": "CHEMBL254381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-74654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959861", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959861, "molecule_chembl_id": "CHEMBL3039333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.14", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCONOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959863", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROTHYMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959863, "molecule_chembl_id": "CHEMBL1441646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.67", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorothymol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(C)C)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964428", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE ZINC", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964428, "molecule_chembl_id": "CHEMBL3392049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.71", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRITHIONE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959872", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIS(ETHYL)SPERMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959872, "molecule_chembl_id": "CHEMBL18794", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.45", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1;12-Besm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCCCNCCCCNCCCNCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955513", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA-CARYOPHYLLENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955513, "molecule_chembl_id": "CHEMBL445740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(E)-Caryophyllene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC/C=C(\\C)CC[C@@H]2[C@@H]1CC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956231", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESMETIROM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956231, "molecule_chembl_id": "CHEMBL3261331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.23", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MGL-3196"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961007", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961007, "molecule_chembl_id": "CHEMBL3590106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.34", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ulixertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957940", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECLOFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957940, "molecule_chembl_id": "CHEMBL509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECLOFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963111", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOSARTAN POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963111, "molecule_chembl_id": "CHEMBL995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.01", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "losartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963113", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-690514", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963113, "molecule_chembl_id": "CHEMBL3545396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.44", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-690514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957588", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOLIBRESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957588, "molecule_chembl_id": "CHEMBL1232461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.90", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK 525762A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958385", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958385, "molecule_chembl_id": "CHEMBL1439227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.77", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-113583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958343", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958343, "molecule_chembl_id": "CHEMBL1269896", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.49", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 34 [PMID: 20866075]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956804", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956804, "molecule_chembl_id": "CHEMBL406703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.46", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS601245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963314", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KHELLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963314, "molecule_chembl_id": "CHEMBL44746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.24", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHELLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2c(OC)c2c(=O)cc(C)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962360", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962360, "molecule_chembl_id": "CHEMBL1232398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "117.15", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Valine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962473", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIROGACESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962473, "molecule_chembl_id": "CHEMBL1770916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.66", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nirogacestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.854", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957854", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARANABANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957854, "molecule_chembl_id": "CHEMBL220360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.96", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TARANABANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962538", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962538, "molecule_chembl_id": "CHEMBL310840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.35", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-265246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)c[nH]c2nncc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963099", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963099, "molecule_chembl_id": "CHEMBL4303412", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.65", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VCH-916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.517", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N(c2cc(C3=CCCCC3)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957453", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPANTHELINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957453, "molecule_chembl_id": "CHEMBL1180725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.50", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPANTHELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958859", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERASTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958859, "molecule_chembl_id": "CHEMBL401989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.06", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Erastin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962819", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962819, "molecule_chembl_id": "CHEMBL480889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "550.70", "alogp": "3.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CUR-61414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963144", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CITRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963144, "molecule_chembl_id": "CHEMBL1261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.12", "alogp": "-1.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "citric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829304", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROQUINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829304, "molecule_chembl_id": "CHEMBL537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833120", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833120, "molecule_chembl_id": "CHEMBL2315158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DSR-6434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834762", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.97 \u00b1 0.6", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834762, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "970.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833919", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833919, "molecule_chembl_id": "CHEMBL284716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.26", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-HYDROXY-PIPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(C/C=C/I)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829635", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829635, "molecule_chembl_id": "CHEMBL145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CAFFEIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828435", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOCODAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828435, "molecule_chembl_id": "CHEMBL9514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.33", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nocodazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0327", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829541", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENAC SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829541, "molecule_chembl_id": "CHEMBL1034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.14", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diclofenac sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834141", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOSUXIMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834141, "molecule_chembl_id": "CHEMBL696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.17", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOSUXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147303", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILPATEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147303, "molecule_chembl_id": "CHEMBL513390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.79", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zilpaterol_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147507", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIVAGABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147507, "molecule_chembl_id": "CHEMBL1870796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.24", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Pivagabine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152076", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152076, "molecule_chembl_id": "CHEMBL1085637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.51", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CAY10650"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147572", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIROCOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147572, "molecule_chembl_id": "CHEMBL69998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.41", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIROCOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153650", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153650, "molecule_chembl_id": "CHEMBL2391504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spautin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153657", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153657, "molecule_chembl_id": "CHEMBL105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "-1.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MITOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153490", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153490, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148992", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GS 6201", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148992, "molecule_chembl_id": "CHEMBL260933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.43", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GS-6201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148993", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148993, "molecule_chembl_id": "CHEMBL3306873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INT-767"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCOS(=O)(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829645", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILUZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829645, "molecule_chembl_id": "CHEMBL744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.20", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RILUZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(OC(F)(F)F)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829648", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APHIDICOLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829648, "molecule_chembl_id": "CHEMBL29711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.49", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APHIDICOLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834610", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834610, "molecule_chembl_id": "CHEMBL4303496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.40", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-67-7476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153430", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARUNDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153430, "molecule_chembl_id": "CHEMBL446452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Diindolylmethane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153059", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153059, "molecule_chembl_id": "CHEMBL460491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.67", "alogp": "5.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IT1t"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN2C(CS/C(=N\\C3CCCCC3)NC3CCCCC3)=CSC2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148624", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148624, "molecule_chembl_id": "CHEMBL1436121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.72", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Olprinone (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146908", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146908, "molecule_chembl_id": "CHEMBL1709719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.27", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKA-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ccc3ccccc32)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153340", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153340, "molecule_chembl_id": "CHEMBL1231018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APY-29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc3[nH]cnc3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151963", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTACAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151963, "molecule_chembl_id": "CHEMBL129529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTACAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153412", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYANOCOBALAMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153412, "molecule_chembl_id": "CHEMBL2110563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1356.40", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CYANOCOBALAMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151876", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELAFIBRANOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151876, "molecule_chembl_id": "CHEMBL3707395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.50", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Elafibranor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153190", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALSETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153190, "molecule_chembl_id": "CHEMBL4582651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "533.61", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "BLU-667"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148853", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148853, "molecule_chembl_id": "CHEMBL1230714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K02288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152537", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152537, "molecule_chembl_id": "CHEMBL4289507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.29", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OG-L002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147343", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BESIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147343, "molecule_chembl_id": "CHEMBL1201761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Besifloxacin HCl (Besivance)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148600", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIADIMEFON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148600, "molecule_chembl_id": "CHEMBL520897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.75", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIADIMEFON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148604", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148604, "molecule_chembl_id": "CHEMBL1378945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MR-16728"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCCCCC1)C(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833873", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833873, "molecule_chembl_id": "CHEMBL4303642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1882.33", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "GRAMICIDIN (GRAMICIDIN A SHOWN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151039", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151039, "molecule_chembl_id": "CHEMBL4301645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.33", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-LSD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151361", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151361, "molecule_chembl_id": "CHEMBL1813048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.52", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-N-1752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150986", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VONOPRAZAN FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150986, "molecule_chembl_id": "CHEMBL2064032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vonoprazan Fumarate (TAK-438)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146776", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREPIBUTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146776, "molecule_chembl_id": "CHEMBL1725880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trepibutone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151574", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151574, "molecule_chembl_id": "CHEMBL1527280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML SA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963845", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963845, "molecule_chembl_id": "CHEMBL4303323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.41", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acalisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151179", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANETIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151179, "molecule_chembl_id": "CHEMBL1993793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.40", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fanetizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963257", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDALOPIRDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963257, "molecule_chembl_id": "CHEMBL3286580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.38", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Idalopirdine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.066", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146542", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146542, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALTRETAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150540", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150540, "molecule_chembl_id": "CHEMBL4303197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sari-59-801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1noc(C)c1-c1[nH]c2ccccc2c1C(O)CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150541", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIGETRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150541, "molecule_chembl_id": "CHEMBL487017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "0.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "APIGETRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146563", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANITIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146563, "molecule_chembl_id": "CHEMBL1790041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RANITIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959377", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959377, "molecule_chembl_id": "CHEMBL3561133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.49", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminopentamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955734", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERDOSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955734, "molecule_chembl_id": "CHEMBL1697744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dithiosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSCC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956002", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956002, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etomidate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960387", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960387, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEVIRAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-36.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955861", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955861, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emtricitabine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147262", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147262, "molecule_chembl_id": "CHEMBL3352946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-cyanopyrimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ncccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960388", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TESAGLITAZAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960388, "molecule_chembl_id": "CHEMBL282686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.47", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "tesaglitazar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.956", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150646", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150646, "molecule_chembl_id": "CHEMBL381055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADX-47273"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150972", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXOPRENALINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150972, "molecule_chembl_id": "CHEMBL1589896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Hexoprenaline sulphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151580", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151580, "molecule_chembl_id": "CHEMBL1206690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Parecoxib sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152473", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-960", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152473, "molecule_chembl_id": "CHEMBL2392545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.61", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151529", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFLORNITHINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151529, "molecule_chembl_id": "CHEMBL830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eflornithine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(N)(C(=O)O)C(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146475", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRODAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146475, "molecule_chembl_id": "CHEMBL298019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRODAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146158", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMIVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146158, "molecule_chembl_id": "CHEMBL141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lamivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150449", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150449, "molecule_chembl_id": "CHEMBL4303600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.58", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lithocholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959311", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959311, "molecule_chembl_id": "CHEMBL1611218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOLINDONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C)[nH]c2c1C(=O)[C@H](CN1CCOCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958561", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958561, "molecule_chembl_id": "CHEMBL261693", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV666021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958251", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958251, "molecule_chembl_id": "CHEMBL1413622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 3 [PMID: 23849879]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960299", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960299, "molecule_chembl_id": "CHEMBL2159495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.23", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "P5091 (P005091)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148940", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIPLON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148940, "molecule_chembl_id": "CHEMBL262075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.44", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "indiplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147951", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEFURALINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147951, "molecule_chembl_id": "CHEMBL1076256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.39", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "befuraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152460", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOLDOPAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152460, "molecule_chembl_id": "CHEMBL588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.76", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenoldopam mesilate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147494", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-NAPHTHALIMIDOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147494, "molecule_chembl_id": "CHEMBL403272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isodibut"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147386", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAVARIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147386, "molecule_chembl_id": "CHEMBL216981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Navarixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148609", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYQUINOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148609, "molecule_chembl_id": "CHEMBL310555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-Hydroxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152058", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REBOXETINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152058, "molecule_chembl_id": "CHEMBL2146087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.50", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "reboxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151809", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151809, "molecule_chembl_id": "CHEMBL2047943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPI-0479605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152018", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152018, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clofarabine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAR-407899", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146907, "molecule_chembl_id": "CHEMBL3545341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.76", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAR407899 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149150", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149150, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rufinamide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153465", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153465, "molecule_chembl_id": "CHEMBL4303591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.91", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(2-chlorophenyl)-2-({(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazino}carbothioyl)hydrazinecarbothioamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NNC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148631", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148631, "molecule_chembl_id": "CHEMBL4303663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.36", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bicuculline-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2C1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153476", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153476, "molecule_chembl_id": "CHEMBL3260990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.78", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESI-09"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cccc(Cl)c2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152026", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152026, "molecule_chembl_id": "CHEMBL956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Suprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147522", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-6482", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147522, "molecule_chembl_id": "CHEMBL2165191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD6482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152030", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-216763", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152030, "molecule_chembl_id": "CHEMBL102714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.22", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-216763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147525", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147525, "molecule_chembl_id": "CHEMBL6466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Coumarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148979", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-0893", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148979, "molecule_chembl_id": "CHEMBL1933349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.49", "alogp": "7.50", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "MK 0893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153174", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERASIROX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153174, "molecule_chembl_id": "CHEMBL550348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferasirox (Exjade)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153342, "molecule_chembl_id": "CHEMBL4524847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW 58C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCC(C2=C(O)C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147374", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147374, "molecule_chembl_id": "CHEMBL280974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eliprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151879", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXATIDINE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151879, "molecule_chembl_id": "CHEMBL46102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROXATIDINE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147595, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gestodene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151613", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151613, "molecule_chembl_id": "CHEMBL496782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.26", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(/C=C2\\SC(=O)NC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147183", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCH-58261", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147183, "molecule_chembl_id": "CHEMBL17127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.37", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-58261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831043", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831043, "molecule_chembl_id": "CHEMBL222418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.16", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830550", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830550, "molecule_chembl_id": "CHEMBL125582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BORONOPHENYLALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835268", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835268, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ethenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834898", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834898, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830198", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830198, "molecule_chembl_id": "CHEMBL537161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEDETOMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(C)c2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830206", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIVELESTAT SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830206, "molecule_chembl_id": "CHEMBL3182314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.51", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SIVELESTAT (SODIUM TETRAHYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830469", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830469, "molecule_chembl_id": "CHEMBL112715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.48", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830591", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830591, "molecule_chembl_id": "CHEMBL337301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.44", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-806 (BMS 378806)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HELENINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830595, "molecule_chembl_id": "CHEMBL136356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.32", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALANTOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARESPLADIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830651, "molecule_chembl_id": "CHEMBL148674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.40", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VARESPLADIB (LY315920)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829749", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPROXEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829749, "molecule_chembl_id": "CHEMBL154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.26", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPROXEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834456", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834456, "molecule_chembl_id": "CHEMBL4303226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.48", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-10216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc(-c2coc3cc(OCc4cccc(C(=O)O)c4)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831081, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EFV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835654", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORODESINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835654, "molecule_chembl_id": "CHEMBL218291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-2.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Forodesine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3013", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEMANTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829758, "molecule_chembl_id": "CHEMBL1699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEMANTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829910", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIDRONATE DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829910, "molecule_chembl_id": "CHEMBL1201042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.99", "alogp": "-0.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETIDRONATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834884", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834884, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835358", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835358, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Melatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834731", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "19.05 \u00b1 0.47", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834731, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUNARIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19050.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834441", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834441, "molecule_chembl_id": "CHEMBL4303147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834450", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834450, "molecule_chembl_id": "CHEMBL4303250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.57", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTH-01-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1cc3ccccc3cc1N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834741", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.36 \u00b1 0.08", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834741, "molecule_chembl_id": "CHEMBL71191", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN AG 1296 (AG 1296)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1360.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncc(-c3ccccc3)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830124", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830124, "molecule_chembl_id": "CHEMBL70246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "-1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACEFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835353", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAFENIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835353, "molecule_chembl_id": "CHEMBL419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.24", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mafenide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830650", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOURACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830650, "molecule_chembl_id": "CHEMBL345768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.16", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-THIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834612", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OGLEMILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834612, "molecule_chembl_id": "CHEMBL4297520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.31", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "OGLEMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834888", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834888, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154423", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154423, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib (AB1010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154425", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154425, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148774", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRILOSTANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148774, "molecule_chembl_id": "CHEMBL1200907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trilostane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154072", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARTHENOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154072, "molecule_chembl_id": "CHEMBL540445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "parthenolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148777", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148777, "molecule_chembl_id": "CHEMBL1615281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.32", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150065", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150065, "molecule_chembl_id": "CHEMBL1519829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.87", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBINOXAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154567", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154567, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154549", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154549, "molecule_chembl_id": "CHEMBL374632", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coumarin 7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.67", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154572", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154572, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.21", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154187", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154187, "molecule_chembl_id": "CHEMBL91", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154478", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154478, "molecule_chembl_id": "CHEMBL149201", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-16f"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147974", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147974, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Nilotinib hydrochloride monohydrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152480", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152480, "molecule_chembl_id": "CHEMBL1590266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.49", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-14506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152275", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152275, "molecule_chembl_id": "CHEMBL521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)-Ibuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148289", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148289, "molecule_chembl_id": "CHEMBL321820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.62", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-123319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152277", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152277, "molecule_chembl_id": "CHEMBL1077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148178", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148178, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152071", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152071, "molecule_chembl_id": "CHEMBL402262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.77", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORTHALIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151971", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151971, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BOSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147466", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROCTONE OLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147466, "molecule_chembl_id": "CHEMBL2107154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROCTONE OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147337", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147337, "molecule_chembl_id": "CHEMBL1624767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.29", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMPS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CC(S)CS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147194", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGRELIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147194, "molecule_chembl_id": "CHEMBL1200759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.55", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANAGRELIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146970", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIMEPINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146970, "molecule_chembl_id": "CHEMBL3622533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "2.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CUDC-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148597", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148597, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPRIFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146975", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146975, "molecule_chembl_id": "CHEMBL1324296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.31", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152296", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITACITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152296, "molecule_chembl_id": "CHEMBL3622820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.52", "alogp": "3.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Itacitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152470", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-TRITYL-L-CYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152470, "molecule_chembl_id": "CHEMBL392695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.48", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-TRITYL-L-CYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152267", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTANOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152267, "molecule_chembl_id": "CHEMBL14227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "88.11", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sodium butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147765", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147765, "molecule_chembl_id": "CHEMBL1336452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.56", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-634724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147769", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147769, "molecule_chembl_id": "CHEMBL3303800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.41", "alogp": "6.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Clindamycin palmitate HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145984", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECABET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145984, "molecule_chembl_id": "CHEMBL2104585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.51", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ecabet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145614", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145614, "molecule_chembl_id": "CHEMBL525239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.25", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-Zeatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\CNc1ncnc2[nH]cnc12)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEHYDROCHOLATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150967, "molecule_chembl_id": "CHEMBL2106184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.51", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCHOLATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151950", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANOSINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151950, "molecule_chembl_id": "CHEMBL1233147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.18", "alogp": "-2.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "guanosine-5'-triphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145952, "molecule_chembl_id": "CHEMBL399530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT018159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151283", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSUVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151283, "molecule_chembl_id": "CHEMBL1744447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1001.15", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSUVASTATIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958565", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW549034X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958565, "molecule_chembl_id": "CHEMBL365286", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW549034X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964203", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.40", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964203, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963730", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963730, "molecule_chembl_id": "CHEMBL1651026", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1393.68", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "[Sar9;Met(O2)11]-Substance P"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964066", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITROXOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964066, "molecule_chembl_id": "CHEMBL1454910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROXOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1026", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959462", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYOSCYAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959462, "molecule_chembl_id": "CHEMBL1331216", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.37", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYOSCYAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964067", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRILAMINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964067, "molecule_chembl_id": "CHEMBL1201006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRILAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959650", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959650, "molecule_chembl_id": "CHEMBL1230080", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.12", "alogp": "-2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959655", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSTEVIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959655, "molecule_chembl_id": "CHEMBL462653", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.46", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isosteviol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956564", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956564, "molecule_chembl_id": "CHEMBL3606021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NMS-P118"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964266", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.52", "bao_label": "assay format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964266, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964270", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.52", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964270, "molecule_chembl_id": "CHEMBL510038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU3327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961644", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERUTROBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961644, "molecule_chembl_id": "CHEMBL2107786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.92", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Terutroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.655", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961651, "molecule_chembl_id": "CHEMBL23588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.23", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLIOQUINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960081, "molecule_chembl_id": "CHEMBL497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.50", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961028", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZIPRASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961028, "molecule_chembl_id": "CHEMBL1375743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.42", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ziprasidone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.353", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961030", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIDAFENACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961030, "molecule_chembl_id": "CHEMBL53366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Imidafenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961627", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VOXELOTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961627, "molecule_chembl_id": "CHEMBL4101807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Voxelotor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958655", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958655, "molecule_chembl_id": "CHEMBL3182074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Buparvaquone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963653", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMETHIXENE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963653, "molecule_chembl_id": "CHEMBL1523827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMETHIXENE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956272", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956272, "molecule_chembl_id": "CHEMBL2332367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.68", "alogp": "-2.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cyclo(-RGDfK)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963270", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963270, "molecule_chembl_id": "CHEMBL2431212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.32", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LSN-2463359"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830886", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTERODINE TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830886, "molecule_chembl_id": "CHEMBL1722209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TOLTERODINE TARTRATE (DETROL LA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831030", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADOPRAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831030, "molecule_chembl_id": "CHEMBL221692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ADOPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831257", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-NITRENDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831257, "molecule_chembl_id": "CHEMBL251230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITRENDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151045", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151045, "molecule_chembl_id": "CHEMBL251997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.84", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-MeCCPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145983", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAZANIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145983, "molecule_chembl_id": "CHEMBL2104101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.11", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORAZANIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151065", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151065, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlexanox\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146517", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146517, "molecule_chembl_id": "CHEMBL1671940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lu-AA-47070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)/N=c2\\sccn2COP(=O)(O)O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145526", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMRUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145526, "molecule_chembl_id": "CHEMBL1186894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.47", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150581", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150581, "molecule_chembl_id": "CHEMBL3098745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.26", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AF38469"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146473", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLORALUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146473, "molecule_chembl_id": "CHEMBL2106294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.83", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLORALUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145562", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145562, "molecule_chembl_id": "CHEMBL1076555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.79", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKI II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146271", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(-)-U-50488 CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146271, "molecule_chembl_id": "CHEMBL593781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.80", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-50488-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAUROSPORINE AGLYCON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145579, "molecule_chembl_id": "CHEMBL268368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.33", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Arcyriaflavin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146205", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146205, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145513", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145513, "molecule_chembl_id": "CHEMBL3822934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.81", "alogp": "6.61", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "verteporfin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146162", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTHIOPYRAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146162, "molecule_chembl_id": "CHEMBL2251844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENTHIOPYRAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961583", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRAZOLOACRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961583, "molecule_chembl_id": "CHEMBL118841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.41", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pyrazoloacridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955523", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENALAPRILAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955523, "molecule_chembl_id": "CHEMBL577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enalaprilat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955806", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AXITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955806, "molecule_chembl_id": "CHEMBL1289926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.48", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Axitinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960584", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPLERENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960584, "molecule_chembl_id": "CHEMBL1095097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eplerenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955879", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDIBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955879, "molecule_chembl_id": "CHEMBL49642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Indibulin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959688", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959688, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COLCHICINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960365", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960365, "molecule_chembl_id": "CHEMBL4303413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.41", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salazodine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963866", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963866, "molecule_chembl_id": "CHEMBL63829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.52", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "medica-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960611", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960611, "molecule_chembl_id": "CHEMBL4303643", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.16", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UF-010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNNC(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146275", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146275, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Actarit\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151157", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151157, "molecule_chembl_id": "CHEMBL1514181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.24", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-1643"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146556", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOXAPROP-P-ETHYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146556, "molecule_chembl_id": "CHEMBL2251729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.78", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenoxaprop-P-ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145588", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145588, "molecule_chembl_id": "CHEMBL20066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ER-50891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957709", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOTESANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957709, "molecule_chembl_id": "CHEMBL572881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOTESANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146387", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146387, "molecule_chembl_id": "CHEMBL399510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.25", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BROMOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146169", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146169, "molecule_chembl_id": "CHEMBL1201267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.32", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEVIMELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962603", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962603, "molecule_chembl_id": "CHEMBL488910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.58", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ko 143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145969", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145969, "molecule_chembl_id": "CHEMBL2064571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CZC24832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150881", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUTAECARPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150881, "molecule_chembl_id": "CHEMBL85139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.32", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rutaecarpine (Rutecarpine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150681", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150681, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Levodropropizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150817", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY404039", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150817, "molecule_chembl_id": "CHEMBL375611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.22", "alogp": "-2.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2140023 (LY404039)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150818", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150818, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methyl-nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146018", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRANEBRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146018, "molecule_chembl_id": "CHEMBL4297674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-986195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961330", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961330, "molecule_chembl_id": "CHEMBL2032413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "598.51", "alogp": "8.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CP-532623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.374", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955957", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955957, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclabendazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960624", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960624, "molecule_chembl_id": "CHEMBL500272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "619.68", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-6471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N/C(C)=C\\C(=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961223", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIMETIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961223, "molecule_chembl_id": "CHEMBL30", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.35", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIMETIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N/CCSCc1nc[nH]c1C)NC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958190", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958190, "molecule_chembl_id": "CHEMBL1418045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0405601"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc2ccccc2c1Br)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958472", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHOSPHORIC ACID MONODODECYL ESTER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958472, "molecule_chembl_id": "CHEMBL187711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.32", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dodecylphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958477", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958477, "molecule_chembl_id": "CHEMBL13486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3',4',7-Trihydroxyisoflavone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962796", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UFIPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962796, "molecule_chembl_id": "CHEMBL892", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Omeprazole sulphide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958196", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXAMETHYL PARAROSANILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958196, "molecule_chembl_id": "CHEMBL459265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.54", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GENTIAN VIOLET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956579, "molecule_chembl_id": "CHEMBL1206150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "652.71", "alogp": "8.15", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CONGO RED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956365", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIREMADLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956365, "molecule_chembl_id": "CHEMBL3653256", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.42", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "HDM201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961147", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OROTIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961147, "molecule_chembl_id": "CHEMBL1235017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OROTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146168", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146168, "molecule_chembl_id": "CHEMBL224801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.41", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1N/N=C/c1ccc(/C=N/Nc2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150919", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150919, "molecule_chembl_id": "CHEMBL2032413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.51", "alogp": "8.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CP-532623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956281", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956281, "molecule_chembl_id": "CHEMBL139393", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.27", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD006716"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963774", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963774, "molecule_chembl_id": "CHEMBL1240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.40", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPANTHELINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831450", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACETAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831450, "molecule_chembl_id": "CHEMBL1584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.58", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPERACETAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831452, "molecule_chembl_id": "CHEMBL507046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANS-4-HYDROXYCROTONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836146", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.191596828,0.062895465)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETAZOLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836146, "molecule_chembl_id": "CHEMBL356388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.34", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nateglinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1272", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836082", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836082, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lodoxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836085", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836085, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151318", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151318, "molecule_chembl_id": "CHEMBL1650511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.41", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-I-2014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-c1cc(C(F)(F)F)c2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151248", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151248, "molecule_chembl_id": "CHEMBL1569489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.30", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-602820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(=O)NN=C1c1ccc(NCCO)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955698", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955698, "molecule_chembl_id": "CHEMBL260829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nefiracetam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960541", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MERESTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960541, "molecule_chembl_id": "CHEMBL3545307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.54", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "LY-2801653"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958427", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958427, "molecule_chembl_id": "CHEMBL1231178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.18", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bis(4-nitrophenyl) hydrogen phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960405", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DISOGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960405, "molecule_chembl_id": "CHEMBL412437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.63", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Diosgenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959211", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALETHAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959211, "molecule_chembl_id": "CHEMBL2111176", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valethamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146923", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146923, "molecule_chembl_id": "CHEMBL143360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959296", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959296, "molecule_chembl_id": "CHEMBL286120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-77434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961482", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961482, "molecule_chembl_id": "CHEMBL3103988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146774", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALAPIRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146774, "molecule_chembl_id": "CHEMBL550936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.51", "alogp": "1.70", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Balapiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146291", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146291, "molecule_chembl_id": "CHEMBL592652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-0660"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146156", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDELOXAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146156, "molecule_chembl_id": "CHEMBL2105022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indeloxazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=Cc2cccc(OCC3CNCCO3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150656", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHRYSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150656, "molecule_chembl_id": "CHEMBL117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NP-20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151038", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROTHIXENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151038, "molecule_chembl_id": "CHEMBL908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.87", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Chlorprothixene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150452, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene (Avage)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146748", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIPERONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146748, "molecule_chembl_id": "CHEMBL1256875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.94", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151255", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151255, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bestatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963897", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963897, "molecule_chembl_id": "CHEMBL155333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.05", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KN-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.125", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959293", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-MEXILETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959293, "molecule_chembl_id": "CHEMBL147507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEXILETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OC[C@@H](C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146920", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESATORVID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146920, "molecule_chembl_id": "CHEMBL225157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.82", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Resatorvid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959498", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959498, "molecule_chembl_id": "CHEMBL344159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolvaptan (OPC-41061)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960409", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOTRIMAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960409, "molecule_chembl_id": "CHEMBL104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOTRIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151275", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151275, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nelarabine (Arranon)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961593", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUNITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961593, "molecule_chembl_id": "CHEMBL535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sunitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.088", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836338", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLOFENAMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836338, "molecule_chembl_id": "CHEMBL509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "meclofenamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838977", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE CC50 < IC50 BUT CC ONLY GOES TO 25%", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838977, "molecule_chembl_id": "CHEMBL4303785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1032.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PS3061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC1NC(=O)C(Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CCC#N)OC(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146538", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMAGACESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146538, "molecule_chembl_id": "CHEMBL520733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMAGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151044", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151044, "molecule_chembl_id": "CHEMBL4303562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Deoxyglucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830810", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW786460X", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830810, "molecule_chembl_id": "CHEMBL185238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.33", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REPSOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834938", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTRALINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834938, "molecule_chembl_id": "CHEMBL809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.24", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "7de5b5c6-cb03-4f69-b32d-738c306fa726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01994", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830232", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3-AMINOBENZAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830232, "molecule_chembl_id": "CHEMBL81977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.15", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-AMINO-BENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834942", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEPROMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834942, "molecule_chembl_id": "CHEMBL39560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.47", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acepromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08942", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIIODOPHENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830238, "molecule_chembl_id": "CHEMBL81721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.80", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830242", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830242, "molecule_chembl_id": "CHEMBL83894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.53", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FANANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834951", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLANTOIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834951, "molecule_chembl_id": "CHEMBL593429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.12", "alogp": "-2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "allantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NC1NC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834952", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.790374826,0.788801216)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOXISTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834952, "molecule_chembl_id": "CHEMBL63440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloxistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834954", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834954, "molecule_chembl_id": "CHEMBL253371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.44", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3515", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCc1ccccc1)CCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834956", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFAMPRIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834956, "molecule_chembl_id": "CHEMBL354077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amifampridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830800", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830800, "molecule_chembl_id": "CHEMBL178372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835505", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835505, "molecule_chembl_id": "CHEMBL557555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.16", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ciprofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830254", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830254, "molecule_chembl_id": "CHEMBL314360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-A4C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834541", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834541, "molecule_chembl_id": "CHEMBL4303282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETAPAR (MEPREDNISONE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835511", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.322232038,0.088541882)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORGESTREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835511, "molecule_chembl_id": "CHEMBL2107797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norgestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829991", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISEDRONATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829991, "molecule_chembl_id": "CHEMBL1654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.10", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISEDRONATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830314", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESORIDAZINE BESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830314, "molecule_chembl_id": "CHEMBL1201052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.76", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESORIDAZINE BESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835622", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOTAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835622, "molecule_chembl_id": "CHEMBL1732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "583.69", "alogp": "2.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dihydroergotamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0003044", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835450", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835450, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amsacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830753", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYFLURANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830753, "molecule_chembl_id": "CHEMBL1341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.97", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(2,2-DICHLORO-1,1-DIFLUOROETHYL) METHYL ETHER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(F)(F)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963911", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963911, "molecule_chembl_id": "CHEMBL94734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.45", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-MPPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960596", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960596, "molecule_chembl_id": "CHEMBL1200949", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.61", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1cc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151562", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151562, "molecule_chembl_id": "CHEMBL4303445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.39", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-27141491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)OC)c(-c2ccno2)[nH]c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147065", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147065, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pirfenidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147049", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORISONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147049, "molecule_chembl_id": "CHEMBL1385514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.38", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICHLORISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960481", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BELINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960481, "molecule_chembl_id": "CHEMBL408513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.35", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Belinostat (PXD101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151757", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151757, "molecule_chembl_id": "CHEMBL1257423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960519", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960519, "molecule_chembl_id": "CHEMBL285742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955801", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOPRONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955801, "molecule_chembl_id": "CHEMBL1314", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "N-2-Mercaptopropionyl-glycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(S)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960632", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RGB-286638", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960632, "molecule_chembl_id": "CHEMBL3545083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.64", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RGB-286638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146329", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146329, "molecule_chembl_id": "CHEMBL344127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR46611"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151651, "molecule_chembl_id": "CHEMBL1256714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.41", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APNEA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147429", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147429, "molecule_chembl_id": "CHEMBL154668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.78", "alogp": "1.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-368899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151268", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMENHYDRINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151268, "molecule_chembl_id": "CHEMBL1200406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.97", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DIMENHYDRINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836578", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.143457872,-0.020165946)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836578, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Polydatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151760", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151760, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Galunisertib (LY2157299)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963035, "molecule_chembl_id": "CHEMBL1214066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.70", "alogp": "2.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC0321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.942", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963162", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFMINOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963162, "molecule_chembl_id": "CHEMBL1276342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.59", "alogp": "-1.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "cefminox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9505", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963625", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMETER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963625, "molecule_chembl_id": "CHEMBL1200359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964071", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964071, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831888", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831888, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831105", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831105, "molecule_chembl_id": "CHEMBL226838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-505124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828002", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITRENDIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828002, "molecule_chembl_id": "CHEMBL475534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitrendipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836554", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.999998436,0.999997106)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836554, "molecule_chembl_id": "CHEMBL2016757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.27", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS-441524"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830948", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830948, "molecule_chembl_id": "CHEMBL1405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "E1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836433", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836433, "molecule_chembl_id": "CHEMBL317094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.45", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imidapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07158", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830861", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830861, "molecule_chembl_id": "CHEMBL190266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBUPROXAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831923", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INIPARIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831923, "molecule_chembl_id": "CHEMBL1170047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.03", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "INIPARIB (BSI-201)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(I)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOHIPPURATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831651, "molecule_chembl_id": "CHEMBL1681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.07", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-IODOHIPPURIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838698", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAFILOMYCIN A1", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838698, "molecule_chembl_id": "CHEMBL290814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.84", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bafilomycin A1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/C1=C\\C(C)=C\\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145927", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145927, "molecule_chembl_id": "CHEMBL1514440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIMODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150821", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150821, "molecule_chembl_id": "CHEMBL1598680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.53", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICARDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150984", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORIPENEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150984, "molecule_chembl_id": "CHEMBL491571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doripenem\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146482", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINERIXIBAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146482, "molecule_chembl_id": "CHEMBL2387408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GSK2330672"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150519", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150519, "molecule_chembl_id": "CHEMBL180570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.00", "alogp": "-0.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "medronic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150598", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDABEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150598, "molecule_chembl_id": "CHEMBL225963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.94", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PYRIDABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146342, "molecule_chembl_id": "CHEMBL3182790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.95", "alogp": "-1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROCLOSENE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831792", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831792, "molecule_chembl_id": "CHEMBL578741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-90-7501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831945", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALONOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831945, "molecule_chembl_id": "CHEMBL1720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.88", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALONOSETRON HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836521", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALINOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836521, "molecule_chembl_id": "CHEMBL152067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.50", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "talinolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1441", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151228", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINSITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151228, "molecule_chembl_id": "CHEMBL1091644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Linsitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146727", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146727, "molecule_chembl_id": "CHEMBL509051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.67", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FERb-033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151231", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPROMAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151231, "molecule_chembl_id": "CHEMBL829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.45", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trimeprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151236", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151236, "molecule_chembl_id": "CHEMBL3823931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atglistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960254", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABEXINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960254, "molecule_chembl_id": "CHEMBL2103863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Abexinostat (PCI-24781)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960255", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960255, "molecule_chembl_id": "CHEMBL3185133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.49", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "allylestrenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955812", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PANOBINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955812, "molecule_chembl_id": "CHEMBL483254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Panobinostat lactate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145534", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145534, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955850", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRACINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955850, "molecule_chembl_id": "CHEMBL1851943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.49", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pracinostat hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960627", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TREOSULFAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960627, "molecule_chembl_id": "CHEMBL455186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.30", "alogp": "-2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Treosulfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960485", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960485, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRANILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151751", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDROPHONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151751, "molecule_chembl_id": "CHEMBL1104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.24", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDROPHONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831622", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENTIAN VIOLET", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831622, "molecule_chembl_id": "CHEMBL64894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.99", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GENTIAN VIOLET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151644", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151644, "molecule_chembl_id": "CHEMBL3185634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.68", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETAMIPRID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NC#N)N(C)Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836501", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIZOTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836501, "molecule_chembl_id": "CHEMBL601719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "(S)-crizotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0523", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838703", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838703, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "276.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838705", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838705, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6760.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151276", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TONABERSAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151276, "molecule_chembl_id": "CHEMBL318191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tonabersat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958250", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958250, "molecule_chembl_id": "CHEMBL607806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.29", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INOSITOL NIACINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831883, "molecule_chembl_id": "CHEMBL1094982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "810.73", "alogp": "3.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "INOSITOL NICOTINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832138", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832138, "molecule_chembl_id": "CHEMBL1231795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.74", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146001", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146001, "molecule_chembl_id": "CHEMBL202721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-447439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146006", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMPIDINE TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146006, "molecule_chembl_id": "CHEMBL1256139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEMPIDINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C)(C)CCCC1(C)C.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832050", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETRIZOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832050, "molecule_chembl_id": "CHEMBL1201327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.86", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ACETRIZOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838999", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RIMCAZOLE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838999, "molecule_chembl_id": "CHEMBL275707", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "321.47", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.968", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827429", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827429, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.62", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827185", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.24", "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSPORINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827185, "molecule_chembl_id": "CHEMBL160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cyclosporine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5820.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958261", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONDANSETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958261, "molecule_chembl_id": "CHEMBL46", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ONDANSETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960907, "molecule_chembl_id": "CHEMBL569864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.65", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 01294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839019", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839019, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "248.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148273", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148273, "molecule_chembl_id": "CHEMBL2018096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ipragliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152386", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152386, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148070", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148070, "molecule_chembl_id": "CHEMBL303516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.13", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-161503"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153027", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIQUIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153027, "molecule_chembl_id": "CHEMBL383634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.64", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gliquidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148522", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148522, "molecule_chembl_id": "CHEMBL242004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.58", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SNAP-94847"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152580", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURMORPHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152580, "molecule_chembl_id": "CHEMBL1221984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.64", "alogp": "6.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Purmorphamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148086", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148086, "molecule_chembl_id": "CHEMBL1367933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.48", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD011411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148271", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148271, "molecule_chembl_id": "CHEMBL255036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A 922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152642", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUNITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152642, "molecule_chembl_id": "CHEMBL535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sunitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152647", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152647, "molecule_chembl_id": "CHEMBL3334621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.53", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETP-46464"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147901", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147901, "molecule_chembl_id": "CHEMBL3646118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.31", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Molidustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIQUIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148109, "molecule_chembl_id": "CHEMBL1282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIQUIMOD HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152975", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152975, "molecule_chembl_id": "CHEMBL229008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.58", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-566419"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148475", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHINIOFON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148475, "molecule_chembl_id": "CHEMBL2104146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.13", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHINIOFON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])O.O=S(=O)(O)c1cc(I)c(O)c2ncccc12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147710", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147710, "molecule_chembl_id": "CHEMBL3623075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "586.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Orexin 2 Receptor Agonist"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150396", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYCLIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150396, "molecule_chembl_id": "CHEMBL1761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.91", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCYCLIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146176", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE TRIPHOSPHATE DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146176, "molecule_chembl_id": "CHEMBL2106579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.15", "alogp": "-1.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ADENOSINE TRIPHOSPHATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150406", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150406, "molecule_chembl_id": "CHEMBL3329704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.37", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloperine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C2CCCN[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150503", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYTOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150503, "molecule_chembl_id": "CHEMBL16", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYTOIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(O)NC1(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146014", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146014, "molecule_chembl_id": "CHEMBL2164243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.17", "alogp": "-0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "daminozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830963", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYANOPINDOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830963, "molecule_chembl_id": "CHEMBL378501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYANOPINDOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XYLOMETAZOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957894, "molecule_chembl_id": "CHEMBL312448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "XYLOMETAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962602", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+)-ALPHA-TOCOPHERYL SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962602, "molecule_chembl_id": "CHEMBL81421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.79", "alogp": "8.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "D-alpha-Tocopheryl Succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962606", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962606, "molecule_chembl_id": "CHEMBL3391755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.02", "alogp": "2.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GNTI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.211", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958007", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958007, "molecule_chembl_id": "CHEMBL3967196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-151.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146108", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146108, "molecule_chembl_id": "CHEMBL3393145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.53", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adiporon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146116", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PI-103", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146116, "molecule_chembl_id": "CHEMBL573339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI-103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150633", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150633, "molecule_chembl_id": "CHEMBL2419706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.59", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TNKS656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964247", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.17", "bao_label": "assay format", "molecule_pref_name": "CAPTAN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964247, "molecule_chembl_id": "CHEMBL388676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.59", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Captan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "670.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963944", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "S-NITROSOGLUTATHIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963944, "molecule_chembl_id": "CHEMBL63507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.33", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Nitrosoglutathione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.072", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151051", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICIRIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151051, "molecule_chembl_id": "CHEMBL331237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.31", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "triciribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146295", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146295, "molecule_chembl_id": "CHEMBL1213478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Uracil 5-carboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c[nH]c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958515", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958515, "molecule_chembl_id": "CHEMBL1256364", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.34", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Phenyl-3-(2-thiazolyl)-2-thiourea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(Nc1ccccc1)Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959564", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERGURIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959564, "molecule_chembl_id": "CHEMBL73151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.47", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terguride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959478", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959478, "molecule_chembl_id": "CHEMBL446084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "norfluoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146712", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146712, "molecule_chembl_id": "CHEMBL1788380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.23", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tecastemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957707", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957707, "molecule_chembl_id": "CHEMBL525191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0879"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2ccc3c(c2)CC/C3=N\\O)c(-c2ccncc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962309", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962309, "molecule_chembl_id": "CHEMBL192509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.39", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DY131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960460", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960460, "molecule_chembl_id": "CHEMBL4303633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Nastorazepide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959560", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959560, "molecule_chembl_id": "CHEMBL1908396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.55", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI-20227"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961422", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961422, "molecule_chembl_id": "CHEMBL108425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.21", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961144", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961144, "molecule_chembl_id": "CHEMBL543876", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "523.50", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "vanoxerine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961424", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961424, "molecule_chembl_id": "CHEMBL4303391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Diazo-5-oxo-L-norleucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.932", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#[N+]/C=C(\\[O-])CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961152", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIVAMPICILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961152, "molecule_chembl_id": "CHEMBL3182343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pivampicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145545", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILNIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145545, "molecule_chembl_id": "CHEMBL452076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cilnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145546", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145546, "molecule_chembl_id": "CHEMBL1086484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.53", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK9027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Cc1ccccc1)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959502", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEPAZINE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959502, "molecule_chembl_id": "CHEMBL1712842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.52", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148286", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMINOLEVULINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148286, "molecule_chembl_id": "CHEMBL1201785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.75", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hexaminolevulinate (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)CCC(=O)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152826", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152826, "molecule_chembl_id": "CHEMBL1612112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.62", "alogp": "4.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD086028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152740", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRADECYLTHIOACETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152740, "molecule_chembl_id": "CHEMBL187734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.50", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Tetradecylthioacetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCSCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148238, "molecule_chembl_id": "CHEMBL4303434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.53", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-760735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148182", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148182, "molecule_chembl_id": "CHEMBL4303224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(2-chloro-5-methylphenoxy)-3-(isopropylamino)-2-propanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147989", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEBUXOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147989, "molecule_chembl_id": "CHEMBL1164729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FEBUXOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148190", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERUTROBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148190, "molecule_chembl_id": "CHEMBL2107786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.92", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Terutroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147780", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONTELUKAST SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147780, "molecule_chembl_id": "CHEMBL1200681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.18", "alogp": "8.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MONTELUKAST SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152307", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERCAPTOPURINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152307, "molecule_chembl_id": "CHEMBL1425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.18", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6-MP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152572", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFESTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152572, "molecule_chembl_id": "CHEMBL1407645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cafestol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148545", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFSULODIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148545, "molecule_chembl_id": "CHEMBL3351077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.56", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefsulodin (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147747", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147747, "molecule_chembl_id": "CHEMBL351772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.79", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-168049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146154", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRILOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146154, "molecule_chembl_id": "CHEMBL1200586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRILOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)C(=O)Nc1ccccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146393", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146393, "molecule_chembl_id": "CHEMBL1485629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.24", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-63197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c(C)cn2nc(N)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146524", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146524, "molecule_chembl_id": "CHEMBL3609327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.11", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956313", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-06650833", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956313, "molecule_chembl_id": "CHEMBL4081711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF06650833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964096", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964096, "molecule_chembl_id": "CHEMBL3786184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.68", "alogp": "7.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MM-11253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)O)ccc5c4)SCCS3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959493", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MANGAFODIPIR TRISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959493, "molecule_chembl_id": "CHEMBL2096651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "755.31", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Mangafodipir (trisodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964109, "molecule_chembl_id": "CHEMBL496594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.47", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964408", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964408, "molecule_chembl_id": "CHEMBL1886408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.30", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Felbinac ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964411", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964411, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151080", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151080, "molecule_chembl_id": "CHEMBL263291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "875.11", "alogp": "5.60", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "IVERMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146505", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDASANUTLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146505, "molecule_chembl_id": "CHEMBL2402737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.49", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Idasanutlin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146511", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146511, "molecule_chembl_id": "CHEMBL505629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DPP-IV-IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146512", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUACETISAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146512, "molecule_chembl_id": "CHEMBL2105097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Guacetisal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)c1ccccc1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151028", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151028, "molecule_chembl_id": "CHEMBL4476770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.85", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR-20347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150580", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150580, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERIFLUNOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960661", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIMASARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960661, "molecule_chembl_id": "CHEMBL1951143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.66", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fimasartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960662", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LETEPRINIM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960662, "molecule_chembl_id": "CHEMBL2104345", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.30", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "leteprinim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.139", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146183", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146183, "molecule_chembl_id": "CHEMBL2107381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.31", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2';3';5'-Tri-O-acetyluridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150506", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALIDIXIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150506, "molecule_chembl_id": "CHEMBL5", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalidixic_acid sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830961", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830961, "molecule_chembl_id": "CHEMBL381055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADX-47273"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964377", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964377, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963703", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963703, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NG-nitro-arginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIHEXYPHENIDYL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959109, "molecule_chembl_id": "CHEMBL1092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.94", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIHEXYPHENIDYL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.361", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150564", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150564, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147756", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147756, "molecule_chembl_id": "CHEMBL1200961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.32", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152211", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMIPRAMINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152211, "molecule_chembl_id": "CHEMBL1200948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMIPRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALINOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834109, "molecule_chembl_id": "CHEMBL152067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.50", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TALINOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828530", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSPORINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828530, "molecule_chembl_id": "CHEMBL160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cyclosporin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833244", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFACTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833244, "molecule_chembl_id": "CHEMBL3137331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.50", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DEFACTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828546", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828546, "molecule_chembl_id": "CHEMBL4303577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1664.92", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Thiostrepton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1728", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@@](C)(O)[C@@H](C)O)NC(=O)[C@H]5CSC(=N5)/C(=C\\C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)CC)N[C@@H]2C=Cc3c([C@H](C)O)cc(nc3[C@H]2O)C(=O)O[C@@H]4C)n1)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830410", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-216763", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830410, "molecule_chembl_id": "CHEMBL102714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.22", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-216763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833253", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8330", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833253, "molecule_chembl_id": "CHEMBL3182621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.23", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828557", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828557, "molecule_chembl_id": "CHEMBL1566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ACARBOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833260", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833260, "molecule_chembl_id": "CHEMBL3185133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.49", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALLYLESTRENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833318", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMSAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833318, "molecule_chembl_id": "CHEMBL3301620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.49", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TEMSAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830676", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830676, "molecule_chembl_id": "CHEMBL152632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.21", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIRIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1c1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828620", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828620, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eprobemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09047", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833325", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMATEPERONE TOSYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833325, "molecule_chembl_id": "CHEMBL3233142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.71", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LUMATEPERONE (TOSYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833329", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833329, "molecule_chembl_id": "CHEMBL3310197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828630", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTEZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828630, "molecule_chembl_id": "CHEMBL1697829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.49", "alogp": "-0.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ceftezole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834770", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "> 20", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALISPORIVIR", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834770, "molecule_chembl_id": "CHEMBL1651956", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1216.66", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "ALISPORIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834383", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834383, "molecule_chembl_id": "CHEMBL4303553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.55", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TU-2100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834672", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.09 \u00b1 0.02", "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.05", "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYAMIDOTRIAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834672, "molecule_chembl_id": "CHEMBL95431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.68", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CARBOXYAMIDOTRIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834673", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.19 \u00b1 0.06", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.72", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834673, "molecule_chembl_id": "CHEMBL4303677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "660.53", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AI-10-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "190.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834788", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "9.49 \u00b1 2.55", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834788, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9490.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829902", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETANIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829902, "molecule_chembl_id": "CHEMBL47405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.18", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETANIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830794", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830794, "molecule_chembl_id": "CHEMBL181276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "856.89", "alogp": "-8.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DAPTA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830795", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830795, "molecule_chembl_id": "CHEMBL178334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.61", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829096", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829096, "molecule_chembl_id": "CHEMBL30", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.35", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIMETIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N/CCSCc1nc[nH]c1C)NC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829098", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETULINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829098, "molecule_chembl_id": "CHEMBL269277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Betulinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833000", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERCIPRAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833000, "molecule_chembl_id": "CHEMBL2107617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.48", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TERCIPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829465", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829465, "molecule_chembl_id": "CHEMBL20489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUANIDINOPROPIONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827417", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827417, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833007", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANDOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833007, "molecule_chembl_id": "CHEMBL2107823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GANDOTINIB (LY2784544)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828393", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828393, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riboflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1711", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828668", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAGABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828668, "molecule_chembl_id": "CHEMBL1695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.02", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tiagabine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2483", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835444", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835444, "molecule_chembl_id": "CHEMBL633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.32", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Amiodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1232", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833380", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833380, "molecule_chembl_id": "CHEMBL3401292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.76", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GDC-0834 (RACEMATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@H]3C(=O)N(C)CCN3C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828463", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOPRIM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828463, "molecule_chembl_id": "CHEMBL22", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimethoprim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0604", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833800", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTAPENEM SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833800, "molecule_chembl_id": "CHEMBL1232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.51", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERTAPENEM SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835054", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPENZOLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835054, "molecule_chembl_id": "CHEMBL1619528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pipenzolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832120", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTETROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832120, "molecule_chembl_id": "CHEMBL1230314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ESTETROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832122", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832122, "molecule_chembl_id": "CHEMBL1230584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.91", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EC-144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828309", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMEPROMAZINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828309, "molecule_chembl_id": "CHEMBL1725730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.55", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methotrimeprazine maleate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828473", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFEXAMAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828473, "molecule_chembl_id": "CHEMBL94394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bufexamac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC(=O)NO)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833843", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833843, "molecule_chembl_id": "CHEMBL4159565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.01", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CE3F4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(cc(Br)c(F)c2Br)N1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838868", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838868, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Midostaurin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831924", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RADAFAXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831924, "molecule_chembl_id": "CHEMBL2107365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RADAFAXINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827232", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827232, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15010.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832606", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832606, "molecule_chembl_id": "CHEMBL1650951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.52", "alogp": "3.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-21311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829673", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGRELIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829673, "molecule_chembl_id": "CHEMBL1200759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.55", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANAGRELIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829873", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829873, "molecule_chembl_id": "CHEMBL863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.16", "alogp": "-0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-CYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835810", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835810, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VRP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1784", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832610", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832610, "molecule_chembl_id": "CHEMBL2354521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.86", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYFEDRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830896", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDOFLUDIMUS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830896, "molecule_chembl_id": "CHEMBL197194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VIDOFLUDIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831290", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831290, "molecule_chembl_id": "CHEMBL257991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.57", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT1720 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827333", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.04", "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827333, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832044", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METARAMINOL BITARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832044, "molecule_chembl_id": "CHEMBL2062262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.29", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METARAMINOL BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829428", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAFIRLUKAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829428, "molecule_chembl_id": "CHEMBL603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.69", "alogp": "5.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ZAFIRLUKAST (ACCOLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838697", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": "WEAK/INCONCLUSIVE CURVE DOESN'T SATURATE AT 20 UM", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838697, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7762471.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835793", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835793, "molecule_chembl_id": "CHEMBL381479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.38", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sclareolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(C)OC(=O)C[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834573", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834573, "molecule_chembl_id": "CHEMBL4303259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-5601640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829925", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANEXAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829925, "molecule_chembl_id": "CHEMBL877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.21", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRANEXAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835800", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835800, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "simvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835823", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835823, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zonisamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832048", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THONZONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832048, "molecule_chembl_id": "CHEMBL1200883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.72", "alogp": "8.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "THONZONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827167", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.85", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827167, "molecule_chembl_id": "CHEMBL4303649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "533.11", "alogp": "6.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MLN-3897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833002", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAPRENEPAG", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833002, "molecule_chembl_id": "CHEMBL2107783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAPRENEPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827172", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.96", "bao_label": "organism-based format", "molecule_pref_name": "ELOPIPRAZOLE", "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827172, "molecule_chembl_id": "CHEMBL292187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Elopiprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2ccc(CN3CCN(c4cccc5ccoc45)CC3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827184", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.27", "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827184, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149782", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VESNARINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149782, "molecule_chembl_id": "CHEMBL17423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.46", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vesnarinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154252", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.68", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154252, "molecule_chembl_id": "CHEMBL3609407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.37", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK805"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148632", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148632, "molecule_chembl_id": "CHEMBL1565882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.24", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gidazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149458", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149458, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bexarotene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153293", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153293, "molecule_chembl_id": "CHEMBL4303372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenylacetylglutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153153", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153153, "molecule_chembl_id": "CHEMBL1434137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD-1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)c(O)cc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153972", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDICIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153972, "molecule_chembl_id": "CHEMBL1200647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1109.32", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CANDICIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153974", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REBASTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153974, "molecule_chembl_id": "CHEMBL1738757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.60", "alogp": "6.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DCC-2036 (Rebastinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149471", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149471, "molecule_chembl_id": "CHEMBL415247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.64", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JDTic (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149474", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149474, "molecule_chembl_id": "CHEMBL2333945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.90", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN 201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149483", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBUTALINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149483, "molecule_chembl_id": "CHEMBL1315867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.66", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBUTALINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153987", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153987, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI 2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149289", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149289, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149417", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXISYLYTE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149417, "molecule_chembl_id": "CHEMBL159226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXISYLYTE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148761", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148761, "molecule_chembl_id": "CHEMBL4303323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.41", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acalisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149494", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILANESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149494, "molecule_chembl_id": "CHEMBL2347655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FILANESIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150004", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMAPRIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150004, "molecule_chembl_id": "CHEMBL12344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.27", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMAPRIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150257", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150257, "molecule_chembl_id": "CHEMBL1360103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.69", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312483"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)CC(Cc2ccc(Cl)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150295", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150295, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levofloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154367", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154367, "molecule_chembl_id": "CHEMBL3775982", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "464.31", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AY-9944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30950.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149579, "molecule_chembl_id": "CHEMBL1230488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-hydroxyectoine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=N[C@H](C(=O)O)[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150249", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM NITRITE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150249, "molecule_chembl_id": "CHEMBL93268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "69.00", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sodium Nitrite"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=N[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154181", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154181, "molecule_chembl_id": "CHEMBL347534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.37", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153276", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXISULIND", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153276, "molecule_chembl_id": "CHEMBL488025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "exisulind"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153388", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153388, "molecule_chembl_id": "CHEMBL401930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.97", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-536924"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153295", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153295, "molecule_chembl_id": "CHEMBL1436543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenovin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153209", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAVOXERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153209, "molecule_chembl_id": "CHEMBL3544964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148900", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148900, "molecule_chembl_id": "CHEMBL4303453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.60", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WIKI4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149894, "molecule_chembl_id": "CHEMBL4303144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.24", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA14-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2[C@H]1[C@H](C#N)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150103", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150103, "molecule_chembl_id": "CHEMBL49642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Indibulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149896", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIPRASIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149896, "molecule_chembl_id": "CHEMBL708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.95", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZIPRASIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149907, "molecule_chembl_id": "CHEMBL4519671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "PENTAMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149648", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGAPTEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149648, "molecule_chembl_id": "CHEMBL24171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IN-88"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2ccoc2cc2oc(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149658", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KW-2478", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149658, "molecule_chembl_id": "CHEMBL4300557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.67", "alogp": "2.27", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "KW-2478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154042", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154042, "molecule_chembl_id": "CHEMBL4303550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.28", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TY-52156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=N/c1ccc(Cl)cc1)NNc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149733", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRINIXIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149733, "molecule_chembl_id": "CHEMBL295416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.81", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirinixic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154238", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.43", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154238, "molecule_chembl_id": "CHEMBL301499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DHCaA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3690.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVASTIGMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149737, "molecule_chembl_id": "CHEMBL636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rivastigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150286", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLMETIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150286, "molecule_chembl_id": "CHEMBL1200613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLMETIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149749", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOREPINEPHRINE BITARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149749, "molecule_chembl_id": "CHEMBL1356607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.27", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOREPINEPHRINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149452, "molecule_chembl_id": "CHEMBL408178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.52", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ST 2825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)Cc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)C(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149206", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149206, "molecule_chembl_id": "CHEMBL4303241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "559.62", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Empesertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154382", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CFI-400945", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154382, "molecule_chembl_id": "CHEMBL3408947", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CFI-400945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834935", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXYLENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834935, "molecule_chembl_id": "CHEMBL398440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.61", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Chloro-3,5-dimethylphenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1774", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc(C)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834059", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIKETOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834059, "molecule_chembl_id": "CHEMBL2106966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIKETOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833190", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833190, "molecule_chembl_id": "CHEMBL2426369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-926"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(Br)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828504", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828504, "molecule_chembl_id": "CHEMBL1200492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.48", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nefazodone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1976", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833282", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833282, "molecule_chembl_id": "CHEMBL3218011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.38", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RKI-1447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833370", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833370, "molecule_chembl_id": "CHEMBL3360855", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "4.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ005687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829997", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829997, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COLFORSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834700", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2.03 \u00b1 0.02", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.69", "bao_label": "organism-based format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834700, "molecule_chembl_id": "CHEMBL550495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.91", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2030.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830001", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAVUCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830001, "molecule_chembl_id": "CHEMBL294029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RAVUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829815", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-EFLORNITHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829815, "molecule_chembl_id": "CHEMBL536971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.63", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EFLORNITHINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCCC(N)(C(=O)O)C(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835479", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMENOXIME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835479, "molecule_chembl_id": "CHEMBL1201224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.57", "alogp": "-0.87", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefmenoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1641", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833817", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833817, "molecule_chembl_id": "CHEMBL3039057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.66", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CHOLESTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829219", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-222200", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829219, "molecule_chembl_id": "CHEMBL10284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-222200"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834683", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.73 \u00b1 0.1", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.14", "bao_label": "organism-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834683, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "730.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835129", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOZOLOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835129, "molecule_chembl_id": "CHEMBL810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.15", "alogp": "-2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Temozolomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc2c(C(N)=O)ncn2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834801", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "43.53 \u00b1 38.68", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834801, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETIFOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43530.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833748", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VGX-1027", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833748, "molecule_chembl_id": "CHEMBL1320667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "VGX-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC1CC(c2ccccc2)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833279", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-2636771", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833279, "molecule_chembl_id": "CHEMBL3188551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.43", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2636771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833280", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833280, "molecule_chembl_id": "CHEMBL3188597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833228", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833228, "molecule_chembl_id": "CHEMBL3105848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3PO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833230", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833230, "molecule_chembl_id": "CHEMBL3109630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-366"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835146", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835146, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timonacic"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835138", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835138, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thiabendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1704", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828503", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828503, "molecule_chembl_id": "CHEMBL4303428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "620.74", "alogp": "2.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefditoren Pivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829348", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829348, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENROFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835135", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROZOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835135, "molecule_chembl_id": "CHEMBL1266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tetrahydrozoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCCC2C1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830433", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL SALICYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830433, "molecule_chembl_id": "CHEMBL108545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYL-SALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956425", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABIRATERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956425, "molecule_chembl_id": "CHEMBL254328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.52", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ABIRATERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960995", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRAZINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960995, "molecule_chembl_id": "CHEMBL614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRAZINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956518", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-733", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956518, "molecule_chembl_id": "CHEMBL1615025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.23", "alogp": "1.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964489", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964489, "molecule_chembl_id": "CHEMBL3665060", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "380.47", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKC-3946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964490", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964490, "molecule_chembl_id": "CHEMBL1096979", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960250", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960250, "molecule_chembl_id": "CHEMBL4303573", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.35", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISRIB (trans-isomer)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959328", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINBLASTINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959328, "molecule_chembl_id": "CHEMBL378544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "909.07", "alogp": "3.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vinblastine (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956612", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956612, "molecule_chembl_id": "CHEMBL3814815", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "578.76", "alogp": "6.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY2955303"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2ccc(-n3nc(-c4ccc(C(=O)O)cc4)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963947", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963947, "molecule_chembl_id": "CHEMBL1650237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "101.13", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminothiadiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nncs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964362", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964362, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959450", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-13148", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959450, "molecule_chembl_id": "CHEMBL3544960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AT13148"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959505", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORETHINDRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959505, "molecule_chembl_id": "CHEMBL1162", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norethindrone (Norethisterone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964238", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.59", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964238, "molecule_chembl_id": "CHEMBL4303503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oridonin (Isodonol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2570.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYLLEUCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955516, "molecule_chembl_id": "CHEMBL1875805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IB-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(CC(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955919", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRANTEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955919, "molecule_chembl_id": "CHEMBL1626223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.31", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrantel pamoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960721", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ODANACATIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960721, "molecule_chembl_id": "CHEMBL481611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.57", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Odanacatib (MK 0822)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959604", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959604, "molecule_chembl_id": "CHEMBL1161603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.92", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SM-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955927", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NUCLOMEDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955927, "molecule_chembl_id": "CHEMBL2106465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.76", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nuclomedone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964263", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.88", "bao_label": "assay format", "molecule_pref_name": "VANITIOLIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964263, "molecule_chembl_id": "CHEMBL1380480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANITIOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1320.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956386", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AUCUBIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956386, "molecule_chembl_id": "CHEMBL514882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.33", "alogp": "-2.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AUCUBIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964294", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.11", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964294, "molecule_chembl_id": "CHEMBL1591074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.42", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBS; N-Cyclohexyl-2-benzothiazolesulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "770.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SNC3CCCCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955519", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMONIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955519, "molecule_chembl_id": "CHEMBL58752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pimonidazole hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959601", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959601, "molecule_chembl_id": "CHEMBL237352", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.54", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tie2 kinase inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-273.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(-c3nc(-c4ccc([S+](C)[O-])cc4)[nH]c3-c3ccncc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959847", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FILOREXANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959847, "molecule_chembl_id": "CHEMBL2107822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Filorexant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960749", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLURACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960749, "molecule_chembl_id": "CHEMBL37935", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coluracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964455", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964455, "molecule_chembl_id": "CHEMBL1591074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.42", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBS; N-Cyclohexyl-2-benzothiazolesulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SNC3CCCCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960751", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAFAMIDIS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960751, "molecule_chembl_id": "CHEMBL2103837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tafamidis"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960752", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960752, "molecule_chembl_id": "CHEMBL4166417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "596.68", "alogp": "6.99", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Chlorophyllin; Chlorin E6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)C(CCC(=O)O)C3C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955979", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARTEMETHER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955979, "molecule_chembl_id": "CHEMBL566534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artemether\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955718", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FRENTIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955718, "molecule_chembl_id": "CHEMBL128988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Frentizol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960994", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960994, "molecule_chembl_id": "CHEMBL103772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NGD-94-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960548", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960548, "molecule_chembl_id": "CHEMBL319136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.88", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-91149"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959996", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959996, "molecule_chembl_id": "CHEMBL473773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.21", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WHI-P154"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961289", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961289, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "polidocanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960323", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMARIGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960323, "molecule_chembl_id": "CHEMBL2105762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "1.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omarigliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955563", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAREBASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955563, "molecule_chembl_id": "CHEMBL67654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.65", "alogp": "6.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Carebastine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960670", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROFECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960670, "molecule_chembl_id": "CHEMBL122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rofecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955843", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955843, "molecule_chembl_id": "CHEMBL192316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tipifarnib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956349", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956349, "molecule_chembl_id": "CHEMBL404594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "968.17", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "[Sar1, Ile8]-Angiotensin II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959902", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2X-121", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959902, "molecule_chembl_id": "CHEMBL3644587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.35", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "E7449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961539", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "7-METHYLXANTHINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961539, "molecule_chembl_id": "CHEMBL321248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.14", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "7-methylxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2nc(O)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955768", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PUERARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955768, "molecule_chembl_id": "CHEMBL486386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Puerarin (Kakonein)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960337", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960337, "molecule_chembl_id": "CHEMBL496557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.56", "alogp": "6.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "farnesyl-thiosalicylic-acid-amide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959884", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959884, "molecule_chembl_id": "CHEMBL4303266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-ethoxybenzoic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.312", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961559", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961559, "molecule_chembl_id": "CHEMBL4303567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@@H](C)CC[C@@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961483", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINBURNINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961483, "molecule_chembl_id": "CHEMBL1892145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Eburnamonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.522", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960241", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960241, "molecule_chembl_id": "CHEMBL134915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.46", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 61-8048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960512", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960512, "molecule_chembl_id": "CHEMBL20066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ER-50891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-199.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960517", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960517, "molecule_chembl_id": "CHEMBL3422104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Mps-BAY-2a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CNc1nc(-c2cccc3ncccc23)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964469", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964469, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956221", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956221, "molecule_chembl_id": "CHEMBL525239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.25", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-Zeatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\CNc1ncnc2[nH]cnc12)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959972", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RRX-001", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959972, "molecule_chembl_id": "CHEMBL3526802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.02", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-Bromo-1-(3;3-dinitroazetidin-1-yl)ethan-1-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CBr)N1CC([N+](=O)[O-])([N+](=O)[O-])C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961024", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961024, "molecule_chembl_id": "CHEMBL264406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.40", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-naphthyl-PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964430", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964430, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955856", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955856, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962167", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUBEROHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962167, "molecule_chembl_id": "CHEMBL320497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SBHA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)NO)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957574", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957574, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MIFEPRISTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962427", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPYLPARABEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962427, "molecule_chembl_id": "CHEMBL194014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.20", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propyl 4-hydroxybenzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957075", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957075, "molecule_chembl_id": "CHEMBL3319237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "590.48", "alogp": "2.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CWHM12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(Br)cc([C@H](CC(=O)O)NC(=O)CNC(=O)c2cc(O)cc(NC3=NCC(O)CN3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960281", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMONABANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960281, "molecule_chembl_id": "CHEMBL111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.80", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Rimonabant (SR141716)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960717", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960717, "molecule_chembl_id": "CHEMBL42661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.261", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2F)[nH]c(N)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963546", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSCARNET SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963546, "molecule_chembl_id": "CHEMBL754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "191.95", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FOSCARNET SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959880", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959880, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960144", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960144, "molecule_chembl_id": "CHEMBL3187096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.43", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIVASTIGMINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@@H](O)[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963872", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAC-1", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963872, "molecule_chembl_id": "CHEMBL591429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PAC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961538", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COUMAPHOS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961538, "molecule_chembl_id": "CHEMBL251680", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.77", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COUMOPHOS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961295", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961295, "molecule_chembl_id": "CHEMBL4303148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.18", "alogp": "-4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sodium Glucoheptonate Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959255", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959255, "molecule_chembl_id": "CHEMBL4303418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cedrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC2C(C)(C)C3CC12CCC3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959656", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALNOCTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959656, "molecule_chembl_id": "CHEMBL1075733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "valnoctamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(CC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956609", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956609, "molecule_chembl_id": "CHEMBL3356433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LX7101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959826", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZAKENPAULLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959826, "molecule_chembl_id": "CHEMBL336961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.17", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Azakenpaullone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961552", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961552, "molecule_chembl_id": "CHEMBL158507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1;3-dipropyl-8-phenylxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960366", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960366, "molecule_chembl_id": "CHEMBL269646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.43", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=C(\\NC#N)NCCSCc1csc(N=C(N)N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955665", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOBENZOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955665, "molecule_chembl_id": "CHEMBL542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aminobenzoate potassium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145722", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUTRESCINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145722, "molecule_chembl_id": "CHEMBL1528028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.08", "alogp": "-0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "putrescine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145726", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145726, "molecule_chembl_id": "CHEMBL249097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.37", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lck inhibitor 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150390", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150390, "molecule_chembl_id": "CHEMBL1363071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.29", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUN-B-8155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\c1ccccc1N)c1c(C)cc(=O)n(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145891", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145891, "molecule_chembl_id": "CHEMBL2335154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.34", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXF-BD-02"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145735", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145735, "molecule_chembl_id": "CHEMBL91485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.34", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TR-14035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145792", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145792, "molecule_chembl_id": "CHEMBL4303351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETP-45658"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148809", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148809, "molecule_chembl_id": "CHEMBL1255648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.29", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX546"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147629", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIZANIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147629, "molecule_chembl_id": "CHEMBL1079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.72", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIZANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150690", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERADIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150690, "molecule_chembl_id": "CHEMBL514409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.67", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "hesperadin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146193", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146193, "molecule_chembl_id": "CHEMBL1200949", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.61", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1cc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146362", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146362, "molecule_chembl_id": "CHEMBL2204239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.48", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146199", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUFLAVINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146199, "molecule_chembl_id": "CHEMBL354349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACRIFLAVINIUM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150701", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NONIVAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150701, "molecule_chembl_id": "CHEMBL75124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NONIVAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150465", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150465, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Palmitoylethanolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152110", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152110, "molecule_chembl_id": "CHEMBL2431072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.65", "alogp": "1.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefcapene pivoxil hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145868", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145868, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150819", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150819, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mifepristone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146502", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146502, "molecule_chembl_id": "CHEMBL371315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.30", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trofinetide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145800", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145800, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "forskolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151027", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151027, "molecule_chembl_id": "CHEMBL104383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROTIGOTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145912", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIRAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145912, "molecule_chembl_id": "CHEMBL1255646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.74", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cirazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CC2)c(OCC2=NCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153746", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153746, "molecule_chembl_id": "CHEMBL3237875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.68", "alogp": "0.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ONX-0914"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149862", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149862, "molecule_chembl_id": "CHEMBL1343718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-311311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cccc(=O)c2c(C)n(C)c(C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152788", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152788, "molecule_chembl_id": "CHEMBL614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MMV003249"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145779", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORINDANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145779, "molecule_chembl_id": "CHEMBL1449249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.62", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorindanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150388", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDESONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150388, "molecule_chembl_id": "CHEMBL1370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "budesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145869", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145869, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146321", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARICALCITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146321, "molecule_chembl_id": "CHEMBL1200622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PARICALCITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151002", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151002, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Harringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150606", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRACLONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150606, "molecule_chembl_id": "CHEMBL647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.11", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APRACLONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146106", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146106, "molecule_chembl_id": "CHEMBL3819512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.36", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CXCR2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146173", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146173, "molecule_chembl_id": "CHEMBL271227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ABIRATERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150713", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENIRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150713, "molecule_chembl_id": "CHEMBL505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.80", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(-)-chlorpheniramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146113", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146113, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "orlistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150473", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150473, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pidotimod\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150716", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150716, "molecule_chembl_id": "CHEMBL1788131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-PPBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.c1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146216", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARATRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146216, "molecule_chembl_id": "CHEMBL1278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.47", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NARATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150618", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150618, "molecule_chembl_id": "CHEMBL3970532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG2833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147538", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147538, "molecule_chembl_id": "CHEMBL575060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-glutamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150723", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150723, "molecule_chembl_id": "CHEMBL1187085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.15", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trigonelline_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152046", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152046, "molecule_chembl_id": "CHEMBL1929396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.46", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Anagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147551", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147551, "molecule_chembl_id": "CHEMBL1672558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-SP-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147554", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147554, "molecule_chembl_id": "CHEMBL1921985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAK-700 (Orteronel)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152061", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152061, "molecule_chembl_id": "CHEMBL1190161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "583.60", "alogp": "4.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "T-0156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACYCLOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151109, "molecule_chembl_id": "CHEMBL184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.21", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACYCLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COCCO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145734", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145734, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145853", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145853, "molecule_chembl_id": "CHEMBL3039057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.66", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CHOLESTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152136", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152136, "molecule_chembl_id": "CHEMBL1356094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.15", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;3-DCPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNCCCOc1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149034", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIGULDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149034, "molecule_chembl_id": "CHEMBL405355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.72", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "niguldipine-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150537", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150537, "molecule_chembl_id": "CHEMBL4562140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.53", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD-5069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146187", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146187, "molecule_chembl_id": "CHEMBL4204703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.39", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLV-320"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146090", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146090, "molecule_chembl_id": "CHEMBL188434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.41", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-747651A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148833", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-AMPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148833, "molecule_chembl_id": "CHEMBL276815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPA-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(O)c1C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154359", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154359, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10370.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149936", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149936, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin Gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149580", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-CCM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149580, "molecule_chembl_id": "CHEMBL453066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-CCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959848", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-399885", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959848, "molecule_chembl_id": "CHEMBL1210710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.36", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-399885"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964459", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALDOXORUBICIN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964459, "molecule_chembl_id": "CHEMBL2107818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "750.76", "alogp": "0.39", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Aldoxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960757", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960757, "molecule_chembl_id": "CHEMBL1475038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.42", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "arecaidine-propargyl-ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCOC(=O)C1=CCCN(C)C1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955725", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955725, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955989", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATENOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955989, "molecule_chembl_id": "CHEMBL24", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Atenolol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956422", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956422, "molecule_chembl_id": "CHEMBL4282264", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "536.48", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955953", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955953, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fludarabine phosphate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956216", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956216, "molecule_chembl_id": "CHEMBL400402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.98", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG 100572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960265", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960265, "molecule_chembl_id": "CHEMBL1829305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "635.94", "alogp": "6.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC 0631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959151", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCTYLDODECANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959151, "molecule_chembl_id": "CHEMBL1572050", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.55", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "2-Octyldodecan-1-ol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(CO)CCCCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955894, "molecule_chembl_id": "CHEMBL4522743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.34", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HT-2157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=N\\c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960621", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960621, "molecule_chembl_id": "CHEMBL1436121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.72", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Olprinone (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959904", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEDIPASVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959904, "molecule_chembl_id": "CHEMBL2374220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "889.02", "alogp": "8.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ledipasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-32.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955765", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955765, "molecule_chembl_id": "CHEMBL149394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fmoc-l-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956831", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956831, "molecule_chembl_id": "CHEMBL135561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.63", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FTI-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956833", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PINOMETOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956833, "molecule_chembl_id": "CHEMBL3414626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "3.32", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "EPZ-5676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957582", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957582, "molecule_chembl_id": "CHEMBL1766779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VE-821"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957584", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957584, "molecule_chembl_id": "CHEMBL4562140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.53", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD-5069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963568", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963568, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956834", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956834, "molecule_chembl_id": "CHEMBL249089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.28", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834516, "molecule_chembl_id": "CHEMBL4303368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZLN005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(-c2nc3ccccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834931", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834931, "molecule_chembl_id": "CHEMBL173562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-hydroxyethyl-salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCO)c1ccccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152505", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRISORCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152505, "molecule_chembl_id": "CHEMBL1201038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.51", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ACRISORCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147757", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRYNIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147757, "molecule_chembl_id": "CHEMBL456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149928", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARAFENACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149928, "molecule_chembl_id": "CHEMBL1779046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.39", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tarafenacin (D-tartrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152253", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2886721", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152253, "molecule_chembl_id": "CHEMBL2396989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2886721"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147716", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147716, "molecule_chembl_id": "CHEMBL381638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBC-293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nnc2cc(C(=O)O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958871", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958871, "molecule_chembl_id": "CHEMBL3039137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.52", "alogp": "-7.27", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Hygromycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H]3OC4(O[C@@H]3[C@@H]2O)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958700", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMILOXAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958700, "molecule_chembl_id": "CHEMBL347695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "imiloxan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1ccnc1CC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146893", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146893, "molecule_chembl_id": "CHEMBL1215474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CN1CCN(c2ccccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151955", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZOLOACRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151955, "molecule_chembl_id": "CHEMBL118841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.41", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pyrazoloacridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151758", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENZEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151758, "molecule_chembl_id": "CHEMBL9967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.41", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRENZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147453", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGASEROD MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147453, "molecule_chembl_id": "CHEMBL1516474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TEGASEROD MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151646", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151646, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "brinzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964033", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GONADORELIN ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964033, "molecule_chembl_id": "CHEMBL1200511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1242.36", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Gonadorelin (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146873", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOXAZOLE ACETYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146873, "molecule_chembl_id": "CHEMBL1200910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.35", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE ACETYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151943", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151943, "molecule_chembl_id": "CHEMBL1534418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOPENTOLATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148200", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXANTEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148200, "molecule_chembl_id": "CHEMBL1240977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.28", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXANTEL PAMOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961076", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOPROPYL PALMITATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961076, "molecule_chembl_id": "CHEMBL139055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.51", "alogp": "6.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isopropyl Palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958118", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICYLHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958118, "molecule_chembl_id": "CHEMBL309339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYLHYDROXAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148129", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148129, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148285", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148285, "molecule_chembl_id": "CHEMBL3039448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOROMETHOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152915", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152915, "molecule_chembl_id": "CHEMBL193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFEDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961298", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961298, "molecule_chembl_id": "CHEMBL66089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.34", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147238", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTICOSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147238, "molecule_chembl_id": "CHEMBL110739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CORTICOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149613", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149613, "molecule_chembl_id": "CHEMBL2269009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.66", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-231395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nnc(-c2ccccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153581", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153581, "molecule_chembl_id": "CHEMBL2057918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.70", "alogp": "4.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RN486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154356", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154356, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-AZAGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10380.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149634", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149634, "molecule_chembl_id": "CHEMBL480718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fadrozole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc([C@H]2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154126", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154126, "molecule_chembl_id": "CHEMBL4516422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.86", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JT010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN(C(=O)CCl)c1nc(-c2ccc(OC)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154247", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.93", "bao_label": "organism-based format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154247, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151927", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151927, "molecule_chembl_id": "CHEMBL1591074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.42", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBS; N-Cyclohexyl-2-benzothiazolesulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SNC3CCCCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961854", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFMETAZOLE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961854, "molecule_chembl_id": "CHEMBL1201118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "493.53", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFMETAZOLE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149192", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149192, "molecule_chembl_id": "CHEMBL1548353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1oc(-c2cccc3ccccc23)nc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149582", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149582, "molecule_chembl_id": "CHEMBL1160508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.16", "alogp": "-1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Cysteinesulfinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CS(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153679", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUBOCURARINE CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153679, "molecule_chembl_id": "CHEMBL3989821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "771.73", "alogp": "6.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TUBOCURARINE CHLORIDE PENTAHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959592", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRAHYDROPAPAVERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959592, "molecule_chembl_id": "CHEMBL160919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetrahydropapaverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959532", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRAHYDROURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959532, "molecule_chembl_id": "CHEMBL1236475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "-2.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tetrahydrouridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147938", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147938, "molecule_chembl_id": "CHEMBL1703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.63", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METFORMIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)N=C(N)N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152925", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REFAMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152925, "molecule_chembl_id": "CHEMBL1236682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.34", "alogp": "3.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Refametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151868", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151868, "molecule_chembl_id": "CHEMBL6640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.22", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152932", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152932, "molecule_chembl_id": "CHEMBL2058538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPP-86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153038", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1080", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153038, "molecule_chembl_id": "CHEMBL1969664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD1080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149595", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149595, "molecule_chembl_id": "CHEMBL214529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.44", "alogp": "5.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS-587101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C(=O)O)cs1)C[C@H]2c1ccc(C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154450", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154450, "molecule_chembl_id": "CHEMBL1301049", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "599.09", "alogp": "5.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PB49673382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "430.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150087", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150087, "molecule_chembl_id": "CHEMBL4303514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.46", "alogp": "6.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(1E)-1-(2-hydroxy-5-methylphenyl)-1-dodecanone oxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(N=O)c1cc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150020", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150020, "molecule_chembl_id": "CHEMBL858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.24", "alogp": "-2.07", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETHYLENEDIAMINE TETRACETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150187", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN ETEXILATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150187, "molecule_chembl_id": "CHEMBL539697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.75", "alogp": "5.60", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BIBR-1048 (Dabigatran)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)/N=C(\\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149768", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORANTEL CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149768, "molecule_chembl_id": "CHEMBL1330312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.46", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MORANTEL CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1/C=C/C1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154272", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154272, "molecule_chembl_id": "CHEMBL4082745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "7.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-3903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154631", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154631, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149726", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASCORBIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149726, "molecule_chembl_id": "CHEMBL196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-ASA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154547", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154547, "molecule_chembl_id": "CHEMBL1213137", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOMIPHENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835112", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULISOBENZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835112, "molecule_chembl_id": "CHEMBL2059073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulisobenzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08083", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829949", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLUNISAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829949, "molecule_chembl_id": "CHEMBL898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.20", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIFLUNISAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834658", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STRONTIUM RANELATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834658, "molecule_chembl_id": "CHEMBL3707306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.49", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STRONTIUM RANELATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-].[Sr+2].[Sr+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834638", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834638, "molecule_chembl_id": "CHEMBL4303458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PLURISIN #1 (NSC 14613)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNc1ccccc1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962790", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962790, "molecule_chembl_id": "CHEMBL3901539", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "658.71", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Flumatinib (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958596", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958596, "molecule_chembl_id": "CHEMBL297800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.17", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoleucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958598", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEVIPABULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958598, "molecule_chembl_id": "CHEMBL1182714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.83", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Cevipabulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963200", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963200, "molecule_chembl_id": "CHEMBL3894333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.74", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADX-10059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.649", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153006", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153006, "molecule_chembl_id": "CHEMBL2441340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.46", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2656157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152940", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152940, "molecule_chembl_id": "CHEMBL305881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRE-084"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148540", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148540, "molecule_chembl_id": "CHEMBL1367565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCTOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148443", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHISTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148443, "molecule_chembl_id": "CHEMBL241694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETHISTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151702", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151702, "molecule_chembl_id": "CHEMBL31344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.11", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-29951"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148729", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCROSE OCTAACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148729, "molecule_chembl_id": "CHEMBL2105790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "678.59", "alogp": "-0.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sucrose octaacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147344", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147344, "molecule_chembl_id": "CHEMBL334491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.45", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Budipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146976", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENTERMINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146976, "molecule_chembl_id": "CHEMBL3184799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.61", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPHENTERMINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148822", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148822, "molecule_chembl_id": "CHEMBL576781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.68", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC0224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148101", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148101, "molecule_chembl_id": "CHEMBL4526902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "AZ 3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148678", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148678, "molecule_chembl_id": "CHEMBL352418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-Hydroxy-L-proline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1C[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148211", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148211, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Myricetin (Cannabiscetin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148094", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148094, "molecule_chembl_id": "CHEMBL3187408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.70", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etilefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC(O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151957", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151957, "molecule_chembl_id": "CHEMBL226838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-505124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151967, "molecule_chembl_id": "CHEMBL1140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.13", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151484", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151484, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rilpivirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152388", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152388, "molecule_chembl_id": "CHEMBL1256697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.46", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-7930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151642", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151642, "molecule_chembl_id": "CHEMBL4303310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5;7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-2H-chromene-3;4-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151645", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMDINOCILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151645, "molecule_chembl_id": "CHEMBL530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.43", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "amdinocillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152427", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152427, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148245", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOCLIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148245, "molecule_chembl_id": "CHEMBL121932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOCLIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC1CN2CCC1CC2)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148418", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148418, "molecule_chembl_id": "CHEMBL514554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.50", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-573228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152710", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152710, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148848", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148848, "molecule_chembl_id": "CHEMBL1474517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.11", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SELENOMETHIONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[Se]CCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149280", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149280, "molecule_chembl_id": "CHEMBL1234071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOCTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@H]1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154354", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154354, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12820.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153799", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORANIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153799, "molecule_chembl_id": "CHEMBL192627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.88", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958599", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALOPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958599, "molecule_chembl_id": "CHEMBL299233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "talopram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1(c2ccccc2)OC(C)(C)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963287", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIAMPHENICOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963287, "molecule_chembl_id": "CHEMBL1236282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.23", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "THIAMPHENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963251", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963251, "molecule_chembl_id": "CHEMBL93655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPL-64176"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152391", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152391, "molecule_chembl_id": "CHEMBL1077819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.59", "alogp": "6.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NBI-74330-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151601", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151601, "molecule_chembl_id": "CHEMBL499968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151602", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151602, "molecule_chembl_id": "CHEMBL1528839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.73", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENFORMIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151603", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151603, "molecule_chembl_id": "CHEMBL1256878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzamil HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147101", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPICOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147101, "molecule_chembl_id": "CHEMBL2106646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bupicomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(C(N)=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151619", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151619, "molecule_chembl_id": "CHEMBL234432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "-3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCOSAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151828", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151828, "molecule_chembl_id": "CHEMBL177809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.30", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-iodo-nordihydrocapsaicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148246", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148246, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "LIXIVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148239", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIBAMPATOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148239, "molecule_chembl_id": "CHEMBL1277001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.62", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mibampator"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151827", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RASAGILINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151827, "molecule_chembl_id": "CHEMBL1201142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.35", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rasagiline mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147943", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIKETOPIPERAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147943, "molecule_chembl_id": "CHEMBL125229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piperazinedione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CNC(=O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148456", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXYLRESORCINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148456, "molecule_chembl_id": "CHEMBL443605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.27", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HEXYLRESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153414", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153414, "molecule_chembl_id": "CHEMBL1774055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152716", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152716, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148914", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148914, "molecule_chembl_id": "CHEMBL1411717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.28", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BF-170 hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152664", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-690514", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152664, "molecule_chembl_id": "CHEMBL3545396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.44", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-690514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148120", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148120, "molecule_chembl_id": "CHEMBL3786184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.68", "alogp": "7.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MM-11253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)O)ccc5c4)SCCS3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146812", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146812, "molecule_chembl_id": "CHEMBL1411934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "centazolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nn1cnc2cc3ccccc3cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151658", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETRORELIX ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151658, "molecule_chembl_id": "CHEMBL2103735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1491.12", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cetrorelix (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957891", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOTIRACICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957891, "molecule_chembl_id": "CHEMBL1944698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.47", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TG-02"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957261", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARCTIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957261, "molecule_chembl_id": "CHEMBL435734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARCTIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957269", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957269, "molecule_chembl_id": "CHEMBL4203266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.96", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-705498", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962651, "molecule_chembl_id": "CHEMBL207433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.24", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SB705498"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961103", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVELESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961103, "molecule_chembl_id": "CHEMBL3617964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Alvelestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152499", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNS-314", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152499, "molecule_chembl_id": "CHEMBL482767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SNS-314 methanesulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152577", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152577, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Grazoprevir hydrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153349", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INTEPIRDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153349, "molecule_chembl_id": "CHEMBL1083390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Intepirdine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961870", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961870, "molecule_chembl_id": "CHEMBL258405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.30", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "icilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957279", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957279, "molecule_chembl_id": "CHEMBL2216824", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.60", "alogp": "4.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNK-IN-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961967", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961967, "molecule_chembl_id": "CHEMBL1224151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "E 2012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963255", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITROFURAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963255, "molecule_chembl_id": "CHEMBL869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.14", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITROFURAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964284", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.48", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964284, "molecule_chembl_id": "CHEMBL4303312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.80", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riodoxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c(O)c1I", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963867", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIRAPAZAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963867, "molecule_chembl_id": "CHEMBL50882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.15", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tirapazamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959641", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALAROZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959641, "molecule_chembl_id": "CHEMBL459505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.52", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Talarozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959642", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959642, "molecule_chembl_id": "CHEMBL4303224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(2-chloro-5-methylphenoxy)-3-(isopropylamino)-2-propanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958022", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958022, "molecule_chembl_id": "CHEMBL47529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH 28080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(OCc3ccccc3)cccn2c1CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958103", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958103, "molecule_chembl_id": "CHEMBL215134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.28", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 23 [PMID: 17125252]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccc(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958107", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958107, "molecule_chembl_id": "CHEMBL1610810", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312539"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "117.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc3ncccc3o2)ccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962636", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KINETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962636, "molecule_chembl_id": "CHEMBL228792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.22", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Kinetin (6-Furfuryladenine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(CNc2ncnc3[nH]cnc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962712", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962712, "molecule_chembl_id": "CHEMBL1709719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.27", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKA-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ccc3ccccc32)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958045", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958045, "molecule_chembl_id": "CHEMBL440687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152742", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APTO-253", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152742, "molecule_chembl_id": "CHEMBL4297261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.39", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "APTO-253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147448", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147448, "molecule_chembl_id": "CHEMBL1230845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxyamphetamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151716", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCYTOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151716, "molecule_chembl_id": "CHEMBL1463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.09", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUCYTOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1[nH]c(=O)ncc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151599", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXIMETASONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151599, "molecule_chembl_id": "CHEMBL1766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESOXIMETASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147321", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147321, "molecule_chembl_id": "CHEMBL2032211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-I-2000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152747", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SINEFUNGIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152747, "molecule_chembl_id": "CHEMBL1214186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.39", "alogp": "-2.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sinefungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147929", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUCALYPTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147929, "molecule_chembl_id": "CHEMBL485259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "1,8-Cineole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(CC1)C(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148675", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFEROXAMINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148675, "molecule_chembl_id": "CHEMBL1234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.80", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "deferoxamine-mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151483", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENAMINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151483, "molecule_chembl_id": "CHEMBL180454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlorpheniramine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147874", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUSAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147874, "molecule_chembl_id": "CHEMBL1332032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triflusal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153413", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAVUCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153413, "molecule_chembl_id": "CHEMBL294029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ravuconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153358", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153358, "molecule_chembl_id": "CHEMBL487553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.51", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1004"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153417", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANESPIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153417, "molecule_chembl_id": "CHEMBL109480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.70", "alogp": "2.54", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TANESPIMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153360", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153360, "molecule_chembl_id": "CHEMBL2005186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.52", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLx-2119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148700", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148700, "molecule_chembl_id": "CHEMBL257591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.73", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-120596"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153440", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153440, "molecule_chembl_id": "CHEMBL285480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CH55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153652", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153652, "molecule_chembl_id": "CHEMBL4177187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.64", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyr3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnn(-c2ccc(NC(=O)C(Cl)=C(Cl)Cl)cc2)c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153669", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153669, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate (STI571)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153576", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTACONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153576, "molecule_chembl_id": "CHEMBL1200725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.79", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sertaconazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153814", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINCHONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153814, "molecule_chembl_id": "CHEMBL533841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148947", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148947, "molecule_chembl_id": "CHEMBL2311933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.66", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153917", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153917, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ixazomib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149108", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERGURIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149108, "molecule_chembl_id": "CHEMBL73151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.47", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terguride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153930", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153930, "molecule_chembl_id": "CHEMBL3326006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.67", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149430", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEGILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149430, "molecule_chembl_id": "CHEMBL2106694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.69", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mofegiline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC/C(=C/F)CCc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFARNATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153952, "molecule_chembl_id": "CHEMBL2105085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "8.42", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Geranyl-farnesylacetate; Gefarnate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\\C)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149085", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORISONDAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149085, "molecule_chembl_id": "CHEMBL1398654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.14", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorisondamine-diiodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149505", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALEPLON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149505, "molecule_chembl_id": "CHEMBL1521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALEPLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149508", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANOFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149508, "molecule_chembl_id": "CHEMBL2106153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.49", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danofloxacin Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149510", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149510, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entacapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149520", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149520, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFDINIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154023", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154023, "molecule_chembl_id": "CHEMBL400402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.98", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG 100572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149130", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RS-102,221", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149130, "molecule_chembl_id": "CHEMBL88402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.63", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-102221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149094", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOBUTAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149094, "molecule_chembl_id": "CHEMBL1200418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dobutamine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149097", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149097, "molecule_chembl_id": "CHEMBL261557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149024", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149024, "molecule_chembl_id": "CHEMBL1554438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.82", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N20C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(=O)CNCCC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149027", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149027, "molecule_chembl_id": "CHEMBL4303598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.37", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bay-w-9798"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154031", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154031, "molecule_chembl_id": "CHEMBL601757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.19", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Methyltoxoflavin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154492", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154492, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin 9 (SF 6847)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7990.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149993", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149993, "molecule_chembl_id": "CHEMBL3392011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.17", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sodium Danshensu"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154505", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154505, "molecule_chembl_id": "CHEMBL583194", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "494.60", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9550.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150062", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150062, "molecule_chembl_id": "CHEMBL1449159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.89", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRE-084"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153928", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COROSOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153928, "molecule_chembl_id": "CHEMBL391533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "2alpha-hydroxyursolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153321", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINACICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153321, "molecule_chembl_id": "CHEMBL2103840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.50", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dinaciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959062", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959062, "molecule_chembl_id": "CHEMBL4303414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.16", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8175", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958679", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958679, "molecule_chembl_id": "CHEMBL2442630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.20", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "P7C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958323", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958323, "molecule_chembl_id": "CHEMBL1357356", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.55", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROSUVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C(O)CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958379", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMAZODAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958379, "molecule_chembl_id": "CHEMBL12831", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.27", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMAZODAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958692", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958692, "molecule_chembl_id": "CHEMBL1671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPRANOLOL HYDROCHLORIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958874", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958874, "molecule_chembl_id": "CHEMBL402262", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.77", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORTHALIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958892", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958892, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958349", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NB-ACETYLTRYPTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958349, "molecule_chembl_id": "CHEMBL33171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetyltryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958353", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958353, "molecule_chembl_id": "CHEMBL3828043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.81", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-299864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1C2CC=CC2c2cc(Cl)cc3c2N1CC1CC=CC31", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963445", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARGLITAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963445, "molecule_chembl_id": "CHEMBL55624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "darglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963508", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRALIDOXIME MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963508, "molecule_chembl_id": "CHEMBL2104739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.26", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRALIDOXIME MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)[O-].C[n+]1ccccc1C=NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962964", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962964, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Telaprevir (VX-950)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149438", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALIRASIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149438, "molecule_chembl_id": "CHEMBL23293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.55", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Salirasib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149446", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURAZOLIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149446, "molecule_chembl_id": "CHEMBL1103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FURAZOLIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153648", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INGENOL MEBUTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153648, "molecule_chembl_id": "CHEMBL1863513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INGENOL MEBUTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149776", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPIFEXOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149776, "molecule_chembl_id": "CHEMBL4298169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.59", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "tropifexor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(F)c2nc(N3[C@H]4CC[C@@H]3C[C@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149358", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAREBASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149358, "molecule_chembl_id": "CHEMBL67654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.65", "alogp": "6.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Carebastine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152821", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152821, "molecule_chembl_id": "CHEMBL3586573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.36", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CC-115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148321", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148321, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pictilisib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148322", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYANO-PYRROLIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148322, "molecule_chembl_id": "CHEMBL262697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "96.13", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-1-carbonitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148323", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TG100-115", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148323, "molecule_chembl_id": "CHEMBL230011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.35", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TG-100115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152796", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIDINIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152796, "molecule_chembl_id": "CHEMBL620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.45", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIDINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148345", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATRASENTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148345, "molecule_chembl_id": "CHEMBL2106068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.09", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Atrasentan (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152688", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152688, "molecule_chembl_id": "CHEMBL499458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "824.97", "alogp": "3.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Vincristine (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152553", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152553, "molecule_chembl_id": "CHEMBL3349370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.67", "alogp": "5.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XL765"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148057", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148057, "molecule_chembl_id": "CHEMBL31344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.11", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-29951"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153016", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153016, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib (BAY 73-4506)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147805", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147805, "molecule_chembl_id": "CHEMBL1436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.39", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefuroxime sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152751", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOTROPIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152751, "molecule_chembl_id": "CHEMBL1900528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.52", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOTROPIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148529", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148529, "molecule_chembl_id": "CHEMBL734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "75.07", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHYDROXAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148017", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBENPROPIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148017, "molecule_chembl_id": "CHEMBL14690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.84", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clobenpropit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152400", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152400, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumiracoxib (COX-189)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152854", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAPENTIN ENACARBIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152854, "molecule_chembl_id": "CHEMBL1628502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.39", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gabapentin-enacarbil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148352", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148352, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pictilisib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152860", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASIGLIFAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152860, "molecule_chembl_id": "CHEMBL1829174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.64", "alogp": "5.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "FASIGLIFAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149687", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149687, "molecule_chembl_id": "CHEMBL2359165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.03", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benidipine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149349", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROTHIXENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149349, "molecule_chembl_id": "CHEMBL1256658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.33", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CHLORPROTHIXENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154109", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154109, "molecule_chembl_id": "CHEMBL449298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149767", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149767, "molecule_chembl_id": "CHEMBL4303304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.40", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Licochalcone A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148747", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148747, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TOREMIFENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149221", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURSULTIAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149221, "molecule_chembl_id": "CHEMBL1740659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fursultiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958840", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958840, "molecule_chembl_id": "CHEMBL376103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@H](c1ccccc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962345", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962345, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-46.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963661", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963661, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.963", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153710", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153710, "molecule_chembl_id": "CHEMBL508207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.66", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "C-021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153617", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153617, "molecule_chembl_id": "CHEMBL408963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.73", "alogp": "4.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TMC353121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152500", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE VALERATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152500, "molecule_chembl_id": "CHEMBL1497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.59", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAMETHASONE VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148944", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUERARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148944, "molecule_chembl_id": "CHEMBL486386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Puerarin (Kakonein)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149029", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-CHOLESTEN 3-ONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149029, "molecule_chembl_id": "CHEMBL63243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cholestenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149031", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBENZO[B,F][1,4]OXAZEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149031, "molecule_chembl_id": "CHEMBL1085100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIBENZO[B,F][1,4]OXAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=Nc2ccccc2Oc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152502", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152502, "molecule_chembl_id": "CHEMBL1553155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.31", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound-w"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149218", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149218, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153564", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRILAMINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153564, "molecule_chembl_id": "CHEMBL1201006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRILAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154350", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.53", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154350, "molecule_chembl_id": "CHEMBL178334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.61", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148490", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDORESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148490, "molecule_chembl_id": "CHEMBL363387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.36", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LIDORESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149265", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149265, "molecule_chembl_id": "CHEMBL3122117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.84", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-9605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153561", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153561, "molecule_chembl_id": "CHEMBL1206150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "652.71", "alogp": "8.15", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CONGO RED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153724", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBUTYNIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153724, "molecule_chembl_id": "CHEMBL1231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.49", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESOXYBUTYNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153730", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153730, "molecule_chembl_id": "CHEMBL580421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT-948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963234", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963234, "molecule_chembl_id": "CHEMBL354261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccccc1O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963239", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963239, "molecule_chembl_id": "CHEMBL411481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.40", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY320135"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(C#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957916", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FASUDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957916, "molecule_chembl_id": "CHEMBL38380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.38", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FASUDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958797", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958797, "molecule_chembl_id": "CHEMBL295413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naltriben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963272", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MELDONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963272, "molecule_chembl_id": "CHEMBL2104708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meldonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)NCCC(=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958794", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLISTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958794, "molecule_chembl_id": "CHEMBL499783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1155.45", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "Colistin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963444", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963444, "molecule_chembl_id": "CHEMBL3334990", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.15", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;3'-dichlorobenzaldazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.683", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958801", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLPHENIDATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958801, "molecule_chembl_id": "CHEMBL1722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.77", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPHENIDATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.104", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(c1ccccc1)C1CCCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963418", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLDOPATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963418, "molecule_chembl_id": "CHEMBL1200432", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.73", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methyldopate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152392", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINEPTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152392, "molecule_chembl_id": "CHEMBL418995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amineptine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149039", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149039, "molecule_chembl_id": "CHEMBL1321988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRS 2578"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153621", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MGCD-265", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153621, "molecule_chembl_id": "CHEMBL254760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.61", "alogp": "5.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MGCD-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153597", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153597, "molecule_chembl_id": "CHEMBL4303250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.57", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTH-01-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1cc3ccccc3cc1N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149200", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149200, "molecule_chembl_id": "CHEMBL461939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFTR Inhibitor-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2\\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964242", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.01", "bao_label": "assay format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964242, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TENATOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "970.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959605", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959605, "molecule_chembl_id": "CHEMBL4303263", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Chlorophyllin (sodium copper salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955763", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955763, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961564", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAIDZEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961564, "molecule_chembl_id": "CHEMBL8145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "daidzein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.752", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958021", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958021, "molecule_chembl_id": "CHEMBL104028", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A425619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964144", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANAPROGET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964144, "molecule_chembl_id": "CHEMBL539163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanaproget"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153586", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153586, "molecule_chembl_id": "CHEMBL448620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.74", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SNAP-5089"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149033", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149033, "molecule_chembl_id": "CHEMBL1201103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.72", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)C(C)N)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153550", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINIMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153550, "molecule_chembl_id": "CHEMBL3187723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.23", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Binimetinib (MEK162; ARRY-162; ARRY-438162)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963664", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THONZYLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963664, "molecule_chembl_id": "CHEMBL1529802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.84", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THONZYLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147898", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMYLOFIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147898, "molecule_chembl_id": "CHEMBL253592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.48", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMYLOFINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148031", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148031, "molecule_chembl_id": "CHEMBL439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.28", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148547", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANS-ASARONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148547, "molecule_chembl_id": "CHEMBL333306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.26", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-Asarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/c1cc(OC)c(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153062", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASUDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153062, "molecule_chembl_id": "CHEMBL38380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.38", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Fasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148563", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148563, "molecule_chembl_id": "CHEMBL3353597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.85", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RQ-00203078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147690", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELIPROLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147690, "molecule_chembl_id": "CHEMBL27810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "celiprolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147692", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTUGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147692, "molecule_chembl_id": "CHEMBL1770248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.89", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ertugliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147698", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147698, "molecule_chembl_id": "CHEMBL4303521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetyl carnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147702", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUFENURON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147702, "molecule_chembl_id": "CHEMBL1364906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.15", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LUFENURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152209", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152209, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152385", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152385, "molecule_chembl_id": "CHEMBL1594103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.23", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MTPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)(C(=O)O)c1ccc(-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148282", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148282, "molecule_chembl_id": "CHEMBL88588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-25543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152729", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAXENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152729, "molecule_chembl_id": "CHEMBL282724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAXENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153081, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147813", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147813, "molecule_chembl_id": "CHEMBL1506747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nnc(NC(=O)c2cccnc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147818", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147818, "molecule_chembl_id": "CHEMBL2359059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.95", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propiverine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147826", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147826, "molecule_chembl_id": "CHEMBL3263773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDC000067"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152337", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152337, "molecule_chembl_id": "CHEMBL1696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.85", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147836", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAMOTOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147836, "molecule_chembl_id": "CHEMBL4297181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY3023414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147841", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147841, "molecule_chembl_id": "CHEMBL192509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.39", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DY131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152348", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERASTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152348, "molecule_chembl_id": "CHEMBL401989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.06", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Erastin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148107", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETC-159", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148107, "molecule_chembl_id": "CHEMBL3633802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ETC-159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148466", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GDC-0917", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148466, "molecule_chembl_id": "CHEMBL4297282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.71", "alogp": "4.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "CUDC-427"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152972", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152972, "molecule_chembl_id": "CHEMBL4303207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.74", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(chloromethyl)-5;6;7;8-tetrahydro[1]benzothieno[2;3-d]pyrimidin-4(3H)-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(CCl)nc2sc3c(c12)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148469", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148469, "molecule_chembl_id": "CHEMBL191066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.32", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHTPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2c(-c3ccccc3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147678", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147678, "molecule_chembl_id": "CHEMBL1474701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INCA-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153070", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153070, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Candesartan cilexetil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148572", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VADIMEZAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148572, "molecule_chembl_id": "CHEMBL71263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DMXAA (Vadimezan)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152176", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E309", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152176, "molecule_chembl_id": "CHEMBL1451395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.66", "alogp": "8.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D-delta-Tocopherol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147674", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147674, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOFAZIMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148362", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPICATECHIN GALLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148362, "molecule_chembl_id": "CHEMBL36327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.38", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(-)-Epicatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152883", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISRADIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152883, "molecule_chembl_id": "CHEMBL1648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(S)-ISRADIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152892", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152892, "molecule_chembl_id": "CHEMBL1439227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.77", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-113583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152609", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152609, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib (MLN2238)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148038", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148038, "molecule_chembl_id": "CHEMBL463321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004806"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148544", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148544, "molecule_chembl_id": "CHEMBL1788312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.49", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7114"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152662", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZACAMENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152662, "molecule_chembl_id": "CHEMBL2104261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.37", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-(4-Methylbenzylidene)camphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152248", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152248, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lovastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147675", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEXIBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147675, "molecule_chembl_id": "CHEMBL552212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.54", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CYT997"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957802", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957802, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-fluorouracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962191", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962191, "molecule_chembl_id": "CHEMBL3138633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.56", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ribostamycin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961993", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIRASEMTIV", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961993, "molecule_chembl_id": "CHEMBL3039529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.27", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tirasemtiv"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc2nc(O)n(C(CC)CC)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963542", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963542, "molecule_chembl_id": "CHEMBL2139597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PILOCARPINE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)OC[C@@H]1CC1=CN=C[NH+]1C.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958941", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958941, "molecule_chembl_id": "CHEMBL3039089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANDOLAPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.472", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957823", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957823, "molecule_chembl_id": "CHEMBL153057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-165041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958653", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VIGABATRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958653, "molecule_chembl_id": "CHEMBL89598", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "129.16", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vigabatrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(N)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958960", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEMECLOCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958960, "molecule_chembl_id": "CHEMBL1200474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.32", "alogp": "0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEMECLOCYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963510", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STIGMASTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963510, "molecule_chembl_id": "CHEMBL400247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.70", "alogp": "7.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Stigmasterol (Stigmasterin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956816", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDOXURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956816, "molecule_chembl_id": "CHEMBL788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.10", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDOXURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963673", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963673, "molecule_chembl_id": "CHEMBL4303374", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.28", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "yoda-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959077", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959077, "molecule_chembl_id": "CHEMBL4303252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.73", "alogp": "6.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "acetyl-11-keto-beta-boswellic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957654", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957654, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethynyl Estradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957656", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSILODROSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957656, "molecule_chembl_id": "CHEMBL3099695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.24", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "osilodrostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957659", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957659, "molecule_chembl_id": "CHEMBL262766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.33", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-58483"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957662", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957662, "molecule_chembl_id": "CHEMBL1289316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "577.60", "alogp": "3.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB3344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957673", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARIMASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957673, "molecule_chembl_id": "CHEMBL279785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.41", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MARIMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957675", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYBURIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957675, "molecule_chembl_id": "CHEMBL472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.01", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "glibenclamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962289", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962289, "molecule_chembl_id": "CHEMBL4238186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TFC-007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)c1cnc(Oc2ccccc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963146", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICERGOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963146, "molecule_chembl_id": "CHEMBL1372950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICERGOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963417", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BINIMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963417, "molecule_chembl_id": "CHEMBL3187723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.23", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Binimetinib (MEK162; ARRY-162; ARRY-438162)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963019", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963019, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958487", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N,N-DIMETHYLETHANAMINIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958487, "molecule_chembl_id": "CHEMBL609099", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "73.14", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N-DIMETHYLETHANAMINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963373", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963373, "molecule_chembl_id": "CHEMBL430405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-101.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958771", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEHYDROACETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958771, "molecule_chembl_id": "CHEMBL284127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.15", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROACETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1C(=O)C=C(C)OC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956806", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956806, "molecule_chembl_id": "CHEMBL3603847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957927", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957927, "molecule_chembl_id": "CHEMBL3797437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120911"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962456", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962456, "molecule_chembl_id": "CHEMBL562310", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "endo-IWR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958208", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958208, "molecule_chembl_id": "CHEMBL1411333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.24", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML 161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958495", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBOXYLIC ACID METABOLITE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958495, "molecule_chembl_id": "CHEMBL907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.90", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXP3174"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962540", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HIPPURIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962540, "molecule_chembl_id": "CHEMBL461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hippuric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.931", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958509", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N-OXALYLGLYCINE ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958509, "molecule_chembl_id": "CHEMBL90852", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.09", "alogp": "-1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-OXALYLGLYCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957915", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHSCOPOLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957915, "molecule_chembl_id": "CHEMBL376897", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.39", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "N-methyl scopolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147665", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147665, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELAIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148059", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148059, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152760", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTIPYRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152760, "molecule_chembl_id": "CHEMBL277474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTIPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152374", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNETANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152374, "molecule_chembl_id": "CHEMBL10188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALNETANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148260", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148260, "molecule_chembl_id": "CHEMBL4303613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.52", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Deflazacort (Calcort)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152597", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152597, "molecule_chembl_id": "CHEMBL17329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "erbstatin-analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cc(O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154373", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154373, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148687", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148687, "molecule_chembl_id": "CHEMBL3092537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME-0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149591", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149591, "molecule_chembl_id": "CHEMBL479960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[4-(benzyloxy)phenyl]glycinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152655", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOZASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152655, "molecule_chembl_id": "CHEMBL572878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.60", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-680 (MK-0457; Tozasertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152384", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW843682X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152384, "molecule_chembl_id": "CHEMBL514499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW843682X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148278", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148278, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "URIDINE TRIPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148932", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESAZURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148932, "molecule_chembl_id": "CHEMBL1616414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.19", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Resazurin (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2[n+]([O-])c3ccc(O)cc3oc-2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145786", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145786, "molecule_chembl_id": "CHEMBL4303150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.51", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MI-773 (SAR405838)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC1NC(C(=O)NC2CCC(O)CC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146189", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEDAPSONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146189, "molecule_chembl_id": "CHEMBL154166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.38", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEDAPSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146360", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146360, "molecule_chembl_id": "CHEMBL1626177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.11", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-bromo-cAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146408", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NECA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146408, "molecule_chembl_id": "CHEMBL464859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.30", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146412", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146412, "molecule_chembl_id": "CHEMBL521083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.28", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-118057"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146000", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVOBRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146000, "molecule_chembl_id": "CHEMBL4072833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.52", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "evobrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146504", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146504, "molecule_chembl_id": "CHEMBL515679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bicuculline-methochloride-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146332", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146332, "molecule_chembl_id": "CHEMBL3809595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS967"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151019", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151019, "molecule_chembl_id": "CHEMBL12221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.16", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Ethyl-2-pyrrolidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150488", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOTRETINOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150488, "molecule_chembl_id": "CHEMBL547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ISOTRETINON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150504", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150504, "molecule_chembl_id": "CHEMBL259664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Couroupitine B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1\\Nc2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145925", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145925, "molecule_chembl_id": "CHEMBL263664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.85", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT128930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145817", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN ETHYLSUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145817, "molecule_chembl_id": "CHEMBL1200688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "862.06", "alogp": "2.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ETHYLSUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147341", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEROXIRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147341, "molecule_chembl_id": "CHEMBL453863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Triglycidyl isocyanurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147593", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1-PHENYLBIGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147593, "molecule_chembl_id": "CHEMBL3039205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.67", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-phenylbiguanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145865", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDOXUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145865, "molecule_chembl_id": "CHEMBL318153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "-1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDOXUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150629", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150629, "molecule_chembl_id": "CHEMBL3665060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.47", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKC-3946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147398", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147398, "molecule_chembl_id": "CHEMBL2087742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.42", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AL-8697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)(C)C)nnc2c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146236", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146236, "molecule_chembl_id": "CHEMBL492884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.35", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF10460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147640", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZAKENPAULLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147640, "molecule_chembl_id": "CHEMBL336961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.17", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Azakenpaullone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150395", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXALACTAM DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150395, "molecule_chembl_id": "CHEMBL1200357", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.44", "alogp": "-1.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MOXALACTAM DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147637", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NB-ACETYLTRYPTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147637, "molecule_chembl_id": "CHEMBL33171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetyltryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146494", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPATYL NITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146494, "molecule_chembl_id": "CHEMBL488280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.17", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "propatylnitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151110", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151110, "molecule_chembl_id": "CHEMBL4303594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.39", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-409"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146503", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILARALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146503, "molecule_chembl_id": "CHEMBL3218575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.53", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL147 analogue"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145824", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEVIPABULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145824, "molecule_chembl_id": "CHEMBL1182714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.83", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Cevipabulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145837", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3,5-DINITROCATECHOL (OR-486)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145837, "molecule_chembl_id": "CHEMBL168276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.11", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OR-486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151138", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151138, "molecule_chembl_id": "CHEMBL442137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dizocilpine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12NC(Cc3ccccc31)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153530", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMDINOCILLIN PIVOXIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153530, "molecule_chembl_id": "CHEMBL1650818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pivmecillinam (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153553", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153553, "molecule_chembl_id": "CHEMBL376505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.79", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154117", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154117, "molecule_chembl_id": "CHEMBL4073922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "691.64", "alogp": "8.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK-2193874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149618", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149618, "molecule_chembl_id": "CHEMBL3961037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.26", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylethyl resorcinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1ccccc1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151908", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151908, "molecule_chembl_id": "CHEMBL1455300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terreic-acid-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147404", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMBUCIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147404, "molecule_chembl_id": "CHEMBL515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.22", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMBUCIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146123", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146123, "molecule_chembl_id": "CHEMBL3906778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WDR5-0103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151037", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151037, "molecule_chembl_id": "CHEMBL16081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "59.07", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147564", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147564, "molecule_chembl_id": "CHEMBL282093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.80", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151113", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANNITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151113, "molecule_chembl_id": "CHEMBL689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-3.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cordycepic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147357", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147357, "molecule_chembl_id": "CHEMBL512504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-769662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150426", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELCAGEPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150426, "molecule_chembl_id": "CHEMBL236593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.53", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Telcagepant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENHYDRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150516, "molecule_chembl_id": "CHEMBL657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENHYDRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146035", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146035, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRALATREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152051", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152051, "molecule_chembl_id": "CHEMBL578995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.37", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFMTI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147546", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147546, "molecule_chembl_id": "CHEMBL1397797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "98.10", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Imidazolemethanol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151389, "molecule_chembl_id": "CHEMBL525191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0879"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2ccc3c(c2)CC/C3=N\\O)c(-c2ccncc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150753", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPTAPIRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150753, "molecule_chembl_id": "CHEMBL2104230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.41", "alogp": "-0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eptapirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cnn(CCCCN2CCN(c3ncccn3)CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150442", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150442, "molecule_chembl_id": "CHEMBL444963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.98", "alogp": "2.77", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Midecamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145818", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145818, "molecule_chembl_id": "CHEMBL1771212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.51", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SD-2590"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151471", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTRIPTYLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151471, "molecule_chembl_id": "CHEMBL668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROTRIPTYLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145769", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALRUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145769, "molecule_chembl_id": "CHEMBL1096885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "723.65", "alogp": "2.46", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Valrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145843", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDACATEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145843, "molecule_chembl_id": "CHEMBL1095777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indacaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150383", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150383, "molecule_chembl_id": "CHEMBL4303557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WEHI-345 analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccc3C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145720", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145720, "molecule_chembl_id": "CHEMBL168972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.43", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-95639A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147273", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147273, "molecule_chembl_id": "CHEMBL4445682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.40", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU6012962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152063", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152063, "molecule_chembl_id": "CHEMBL453105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.77", "alogp": "-0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danegaptide Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151905", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151905, "molecule_chembl_id": "CHEMBL285527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.35", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,8-ANS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963524", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANSHINONE IIA SULFONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963524, "molecule_chembl_id": "CHEMBL1473252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "sodium-tanshinone-ii-a-sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956916", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HINOKITIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956916, "molecule_chembl_id": "CHEMBL48310", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HINOKITIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc(=O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957923", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957923, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MIDOSTAURIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149318", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEXTURASTAT A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149318, "molecule_chembl_id": "CHEMBL2179618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexturastat A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153820", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153820, "molecule_chembl_id": "CHEMBL1256740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.83", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-733060"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154270", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.00", "bao_label": "organism-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154270, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "990.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148999", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEPROMAZINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148999, "molecule_chembl_id": "CHEMBL1883146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.54", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acepromazine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153755", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153755, "molecule_chembl_id": "CHEMBL3407552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.26", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJB2-043"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)c2oc(-c3ccccc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960093", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960093, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960098", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960098, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "forskolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960111", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960111, "molecule_chembl_id": "CHEMBL2333945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.90", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.499", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960128", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960128, "molecule_chembl_id": "CHEMBL115225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.68", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-701252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(O)nc2cc(Cl)ccc2c1O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956055", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VENETOCLAX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956055, "molecule_chembl_id": "CHEMBL3137309", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "868.46", "alogp": "8.66", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Venetoclax\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956056", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KPT-9274", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956056, "molecule_chembl_id": "CHEMBL4297467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.64", "alogp": "7.08", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "KPT-9274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4ccc(F)cc4)c3o2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956470", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROXYQUINOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956470, "molecule_chembl_id": "CHEMBL223448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Br)cc(Br)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149424", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAXOPRODIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149424, "molecule_chembl_id": "CHEMBL17350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CP 101606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149886", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149886, "molecule_chembl_id": "CHEMBL26318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zidovudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149449", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149449, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirabegron (YM178)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149450", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149450, "molecule_chembl_id": "CHEMBL3137744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "-2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ribitol (Adonitol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834622", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834622, "molecule_chembl_id": "CHEMBL4303698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-57444"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149681", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CX516", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149681, "molecule_chembl_id": "CHEMBL136800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ampalex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2nccnc2c1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154147", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMCENTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154147, "molecule_chembl_id": "CHEMBL3809489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.66", "alogp": "4.88", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "R428"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148952", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148952, "molecule_chembl_id": "CHEMBL1331443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;4-DCPG-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149286", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149286, "molecule_chembl_id": "CHEMBL1401670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.54", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(CN2CCOCCOCCN(Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153866", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROTANSHINONE I", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153866, "molecule_chembl_id": "CHEMBL227075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIHYDROTANSHINONE I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149906", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149906, "molecule_chembl_id": "CHEMBL2311170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPC-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154149", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154149, "molecule_chembl_id": "CHEMBL4562039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.17", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV666599"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1nc(/C=C/c2ccc(Br)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149535", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149535, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LISINOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154154", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERFENADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154154, "molecule_chembl_id": "CHEMBL17157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.69", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PD070165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149655", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149655, "molecule_chembl_id": "CHEMBL399572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.37", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "remodelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2csc(NN=C3CCCC3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154228", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPARGAMIN", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154228, "molecule_chembl_id": "CHEMBL1082723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.25", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cipargamin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154471", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154471, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "870.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149734", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149734, "molecule_chembl_id": "CHEMBL483688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.02", "alogp": "2.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSB 603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149542", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149542, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GATIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149262", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149262, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cinromide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153158", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCENICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153158, "molecule_chembl_id": "CHEMBL2151572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.85", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ENCENICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153976", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153976, "molecule_chembl_id": "CHEMBL510038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU3327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149064", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149064, "molecule_chembl_id": "CHEMBL4303175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ectoine-zwitterion"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1NCC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148713", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148713, "molecule_chembl_id": "CHEMBL1334817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.32", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "siguazodan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N\\c1ccc(C2=NNC(=O)C[C@@H]2C)cc1)NC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153568", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOLVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153568, "molecule_chembl_id": "CHEMBL3039525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "633.70", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Golvatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153988", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153988, "molecule_chembl_id": "CHEMBL267777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.58", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Ritanserin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149488", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149488, "molecule_chembl_id": "CHEMBL237645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.72", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-HDAC6-20b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148715", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148715, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153675", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEQUALINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153675, "molecule_chembl_id": "CHEMBL121663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.58", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEQUALINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153788", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROMETHYLTHIONINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153788, "molecule_chembl_id": "CHEMBL4297221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.63", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Leucomethylene blue (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148808", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITOSCANATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148808, "molecule_chembl_id": "CHEMBL2104676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.27", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BITOSCANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1ccc(N=C=S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153151", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153151, "molecule_chembl_id": "CHEMBL4303211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.44", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149717", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAGABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149717, "molecule_chembl_id": "CHEMBL1027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.56", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tiagabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153588", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153588, "molecule_chembl_id": "CHEMBL573578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.42", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-NM-PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153524", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153524, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG-900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149400", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149400, "molecule_chembl_id": "CHEMBL195789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-9810"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149514", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERINDOPRILAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149514, "molecule_chembl_id": "CHEMBL1201368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.42", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PERINDOPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149515", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT-751", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149515, "molecule_chembl_id": "CHEMBL20684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.42", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABT-751 (E7010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149517", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149517, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149398", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149398, "molecule_chembl_id": "CHEMBL1231909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Cyclohexyl-N'-(Propyl)Phenyl Urea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCc1ccccc1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148994", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NETUPITANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148994, "molecule_chembl_id": "CHEMBL206253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.60", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Netupitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834629", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834629, "molecule_chembl_id": "CHEMBL4303229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.55", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP-775146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(OC(C)(C)C(=O)O)c3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830490", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTYLENETETRAZOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830490, "molecule_chembl_id": "CHEMBL116943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.17", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PENTYLENETETRAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCc2nnnn2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149657", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAZOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149657, "molecule_chembl_id": "CHEMBL707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.48", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXAZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148736", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148736, "molecule_chembl_id": "CHEMBL1672571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.33", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kb NB 142-70"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCSc2c1sc1ccc(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150299", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150299, "molecule_chembl_id": "CHEMBL1601095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCCCC1)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154142", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154142, "molecule_chembl_id": "CHEMBL1337170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.20", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Stattic"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153885", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153885, "molecule_chembl_id": "CHEMBL3828009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.32", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2874455"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149389", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149389, "molecule_chembl_id": "CHEMBL425027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153146", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZOSEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153146, "molecule_chembl_id": "CHEMBL1097235", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.85", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azosemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148641", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148641, "molecule_chembl_id": "CHEMBL3629569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NLG919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CC1c2ccccc2-c2cncn21)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153965", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153965, "molecule_chembl_id": "CHEMBL446084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "norfluoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153970", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZANIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153970, "molecule_chembl_id": "CHEMBL3707247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.47", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ozanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148868", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148868, "molecule_chembl_id": "CHEMBL123433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.10", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-iodo-A-85380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Ic1cncc(OC[C@@H]2CCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154214", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154214, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154062", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154062, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SERTINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150300", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-169316", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150300, "molecule_chembl_id": "CHEMBL17331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.35", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 169316"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153882", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153882, "molecule_chembl_id": "CHEMBL3353411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ5104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154384", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154384, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4380.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148893", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BLEOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148893, "molecule_chembl_id": "CHEMBL3085504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1513.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bleomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149343", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVETIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149343, "molecule_chembl_id": "CHEMBL1286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVETIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153630", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENOXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153630, "molecule_chembl_id": "CHEMBL1372341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.25", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirenoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148764", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148764, "molecule_chembl_id": "CHEMBL441472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCTC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153278", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELONSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153278, "molecule_chembl_id": "CHEMBL3916717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.50", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "selonsertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957600", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957600, "molecule_chembl_id": "CHEMBL3961701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MS049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN1CCC(OCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963061", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROMESTRIENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963061, "molecule_chembl_id": "CHEMBL2105394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "promestriene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957467", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957467, "molecule_chembl_id": "CHEMBL3349370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "599.67", "alogp": "5.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XL765"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957472", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957472, "molecule_chembl_id": "CHEMBL38508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.50", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW0742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958217", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958217, "molecule_chembl_id": "CHEMBL484736", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=N\\NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957483", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIOTHYRONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957483, "molecule_chembl_id": "CHEMBL1544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIOTHYRONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962573", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962573, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RALOXIFENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957881", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALICATIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957881, "molecule_chembl_id": "CHEMBL371064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.55", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BALICATIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957944", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957944, "molecule_chembl_id": "CHEMBL1270208", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.81", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccnc1OCC(F)(F)F)c1cncc(-c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963156", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963156, "molecule_chembl_id": "CHEMBL487553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.51", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1004"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958880", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958880, "molecule_chembl_id": "CHEMBL198159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diarylpropionitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958745", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958745, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963507", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963507, "molecule_chembl_id": "CHEMBL484928", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-50481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959781", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOTIAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959781, "molecule_chembl_id": "CHEMBL1200589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.10", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefotiam (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964389", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEMATOXYLIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964389, "molecule_chembl_id": "CHEMBL477197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hematoxylin (Hydroxybrazilin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964439", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRONOPOL", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964439, "molecule_chembl_id": "CHEMBL1408862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.99", "alogp": "-0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRONOPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])C(Br)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960289", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RADAFAXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960289, "molecule_chembl_id": "CHEMBL2107365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Radafaxine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.432", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963853", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALFACALCIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963853, "molecule_chembl_id": "CHEMBL1601669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Alfacalcidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963832", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963832, "molecule_chembl_id": "CHEMBL1256863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-carboxamidotryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960726", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORAMPHENICOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960726, "molecule_chembl_id": "CHEMBL130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.13", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMPHENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957576", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MILCICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957576, "molecule_chembl_id": "CHEMBL564829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.59", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MILCICLIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962178", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962178, "molecule_chembl_id": "CHEMBL237111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.73", "alogp": "6.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AKBA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959906", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959906, "molecule_chembl_id": "CHEMBL4303637", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "4186.64", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Exendin-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960667", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MITOXANTRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960667, "molecule_chembl_id": "CHEMBL1417019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MITOXANTRONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963966", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIOTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963966, "molecule_chembl_id": "CHEMBL857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.32", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BIOTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959453", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959453, "molecule_chembl_id": "CHEMBL1534418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOPENTOLATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956030", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956030, "molecule_chembl_id": "CHEMBL566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "112.09", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uracil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959737", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959737, "molecule_chembl_id": "CHEMBL792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.11", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "uric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(O)c2nc(O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959228", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959228, "molecule_chembl_id": "CHEMBL1514440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIMODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960251", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECHLORETHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960251, "molecule_chembl_id": "CHEMBL427", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.06", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECHLORETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCl)CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955944", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIDAMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955944, "molecule_chembl_id": "CHEMBL448416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.28", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lidamidine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN=C(N)NC(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963766", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYLOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963766, "molecule_chembl_id": "CHEMBL42743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "916.11", "alogp": "1.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TYLOSIN TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960466", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAMANID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960466, "molecule_chembl_id": "CHEMBL218650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.49", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Delamanid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959316", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959316, "molecule_chembl_id": "CHEMBL10332", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.25", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RX-821002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1(C2=NCCN2)COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959506", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959506, "molecule_chembl_id": "CHEMBL336161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.39", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A61603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960021", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANOPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960021, "molecule_chembl_id": "CHEMBL258734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "731.84", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Danoprevir (ITMN-191)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955575", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAVADOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955575, "molecule_chembl_id": "CHEMBL13178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.47", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pravadoline\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955576", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955576, "molecule_chembl_id": "CHEMBL1377788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Deoxy-D-glucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955579", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STREPTOZOCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955579, "molecule_chembl_id": "CHEMBL1651906", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Streptozocin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960358", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXIBUPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960358, "molecule_chembl_id": "CHEMBL175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXIBUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955875", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955875, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960291", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VESNARINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960291, "molecule_chembl_id": "CHEMBL17423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.46", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vesnarinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959596", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRULIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959596, "molecule_chembl_id": "CHEMBL422648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRULIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964512", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TPCK", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964512, "molecule_chembl_id": "CHEMBL60718", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "351.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tosyl Phenylalanyl Chloromethyl Ketone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959951", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959951, "molecule_chembl_id": "CHEMBL1204876", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.83", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL316243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959909", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRICICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959909, "molecule_chembl_id": "CHEMBL1206245", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.42", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Briciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.538", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURPUROGALLIN", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964516, "molecule_chembl_id": "CHEMBL66953", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "220.18", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURPUROGALLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)cccc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959971", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959971, "molecule_chembl_id": "CHEMBL465952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.16", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alda-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955497", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METAXALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955497, "molecule_chembl_id": "CHEMBL1079604", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metaxalone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154460", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154460, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralatrexate(Folotyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830802", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830802, "molecule_chembl_id": "CHEMBL362051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.51", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARC-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956836", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARBACLOFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956836, "molecule_chembl_id": "CHEMBL301742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(R)-Baclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829844", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIMONIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829844, "molecule_chembl_id": "CHEMBL844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.14", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002548958"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829814", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINACRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829814, "molecule_chembl_id": "CHEMBL43184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963516", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963516, "molecule_chembl_id": "CHEMBL2079588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.83", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Telatinib (BAY 57-9352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963380", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963380, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963382", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963382, "molecule_chembl_id": "CHEMBL43383", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.63", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AQ-RA741"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834947", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834947, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Adrucil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834950", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALIBENDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834950, "molecule_chembl_id": "CHEMBL2105999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alibendol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830797", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMATROBAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830797, "molecule_chembl_id": "CHEMBL361812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RAMATROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830799", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDRONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830799, "molecule_chembl_id": "CHEMBL180570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.00", "alogp": "-0.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MEDRONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830813", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830813, "molecule_chembl_id": "CHEMBL360648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "600.79", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-OT-39"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830227", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830227, "molecule_chembl_id": "CHEMBL310840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.35", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-265246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)c[nH]c2nncc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834939", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834939, "molecule_chembl_id": "CHEMBL4303693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8009-3799"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(CC2=NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834426", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834426, "molecule_chembl_id": "CHEMBL4303488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EACT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830467", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEDOBEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830467, "molecule_chembl_id": "CHEMBL112687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEDOBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834432", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834432, "molecule_chembl_id": "CHEMBL4303689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.33", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2(c3ccccc3F)CCC(F)(F)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834839", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MIBAMPATOR", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834839, "molecule_chembl_id": "CHEMBL1277001", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "438.62", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MIBAMPATOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956771", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSELTAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956771, "molecule_chembl_id": "CHEMBL1229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OSV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961688", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961688, "molecule_chembl_id": "CHEMBL1255654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959555, "molecule_chembl_id": "CHEMBL4303381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trelagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2cc(F)ccc2C#N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961695", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIDAFOTEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961695, "molecule_chembl_id": "CHEMBL90564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.19", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "midafotel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1CN(C/C=C/P(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961902", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961902, "molecule_chembl_id": "CHEMBL4303156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.54", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL-113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-c2ccc(OC(=O)N(C)Cc3cccc(-c4ccncc4)c3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957906", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BICUCULLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957906, "molecule_chembl_id": "CHEMBL417990", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.36", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Bicuculline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959638", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CELIPROLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959638, "molecule_chembl_id": "CHEMBL27810", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "celiprolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957910", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957910, "molecule_chembl_id": "CHEMBL1214066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.70", "alogp": "2.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC0321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956528", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956528, "molecule_chembl_id": "CHEMBL3092807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.59", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151481", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAVOLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151481, "molecule_chembl_id": "CHEMBL3334567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.37", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Savolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153335", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153335, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152961", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152961, "molecule_chembl_id": "CHEMBL1428840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.51", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML144 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152368", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152368, "molecule_chembl_id": "CHEMBL2403319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.63", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lomibuvir (VX-222; VCH-222)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@@H](O)CC2)c(C(=O)O)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148205", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148205, "molecule_chembl_id": "CHEMBL4522743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.34", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HT-2157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=N\\c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148112", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "O-DEMETHYLATED ADAPALENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148112, "molecule_chembl_id": "CHEMBL1180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152761", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152761, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146872", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146872, "molecule_chembl_id": "CHEMBL393929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152524", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152524, "molecule_chembl_id": "CHEMBL1235119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.25", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC669"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147177", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHINDRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147177, "molecule_chembl_id": "CHEMBL1162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norethindrone (Norethisterone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147911", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147911, "molecule_chembl_id": "CHEMBL289356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.30", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-17107"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nnc(Nc2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152833", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152833, "molecule_chembl_id": "CHEMBL294453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "712.04", "alogp": "11.51", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WIN-64338"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147923", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147923, "molecule_chembl_id": "CHEMBL296263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THREONINE (dl)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148243", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148243, "molecule_chembl_id": "CHEMBL1459962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCCCC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147926", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E-64C", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147926, "molecule_chembl_id": "CHEMBL418661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Loxistatin_acid (E-64C)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963525", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFISOXAZOLE ACETYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963525, "molecule_chembl_id": "CHEMBL1200910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.35", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE ACETYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958796", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSFRUCTOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958796, "molecule_chembl_id": "CHEMBL2111113", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.11", "alogp": "-2.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D-Fructose-1;6-diphosphate trisodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956838", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DILTIAZEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956838, "molecule_chembl_id": "CHEMBL23", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.53", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diltiazem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956766", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956766, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANTHARIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957065", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-8245", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957065, "molecule_chembl_id": "CHEMBL1938870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.26", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957838", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957838, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "LIXIVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963651", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963651, "molecule_chembl_id": "CHEMBL985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "60.06", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "UREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963263", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963263, "molecule_chembl_id": "CHEMBL4303282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betapar (Meprednisone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963265", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DECITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963265, "molecule_chembl_id": "CHEMBL1201129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.21", "alogp": "-2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "decitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958663", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXYCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958663, "molecule_chembl_id": "CHEMBL1256723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DOXYCYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962527", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962527, "molecule_chembl_id": "CHEMBL155358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.87", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-51089"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152831", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152831, "molecule_chembl_id": "CHEMBL4208500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148328", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYMETAZOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148328, "molecule_chembl_id": "CHEMBL762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYMETAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151846", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBUTYNIN CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151846, "molecule_chembl_id": "CHEMBL1133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.96", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYBUTYNIN CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152447", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152447, "molecule_chembl_id": "CHEMBL3105156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960566", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960566, "molecule_chembl_id": "CHEMBL36715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962063", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962063, "molecule_chembl_id": "CHEMBL4303521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetyl carnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963361", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963361, "molecule_chembl_id": "CHEMBL118687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-39"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957488", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-1080", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957488, "molecule_chembl_id": "CHEMBL1969664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD1080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960448", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960448, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957475", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957475, "molecule_chembl_id": "CHEMBL499968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962089", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOCANLIDIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962089, "molecule_chembl_id": "CHEMBL128251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.40", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "omega-(4-Iodophenyl)pentadecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCCCCCCCc1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962551", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962551, "molecule_chembl_id": "CHEMBL178372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963662", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963662, "molecule_chembl_id": "CHEMBL3183486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.90", "alogp": "6.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "xaliproden"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.582", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963665", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963665, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956925", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHA-793887", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956925, "molecule_chembl_id": "CHEMBL1230607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.49", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PHA-793887"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957943", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROMETHAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957943, "molecule_chembl_id": "CHEMBL643", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMETHAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961985", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961985, "molecule_chembl_id": "CHEMBL3186509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.33", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-8380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.983", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963324", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERTEBEREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963324, "molecule_chembl_id": "CHEMBL278703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "erteberel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958791", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958791, "molecule_chembl_id": "CHEMBL1474517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.11", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SELENOMETHIONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[Se]CCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963041", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MALTOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963041, "molecule_chembl_id": "CHEMBL1908365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "D-(+)-MALTOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958634", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROQUINIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958634, "molecule_chembl_id": "CHEMBL1906890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "HYDROQUINIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830583", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZAKENPAULLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830583, "molecule_chembl_id": "CHEMBL336961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.17", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-AZAKENPAULLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835381", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NABUMETONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835381, "molecule_chembl_id": "CHEMBL1070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nabumetone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(CCC(C)=O)ccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830121", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTENAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830121, "molecule_chembl_id": "CHEMBL1200397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.94", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BUTENAFINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829720", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUTEOLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829720, "molecule_chembl_id": "CHEMBL151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LUTEOLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830251", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAL PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830251, "molecule_chembl_id": "CHEMBL82202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.14", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(COP(=O)(O)O)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834961", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREMILAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834961, "molecule_chembl_id": "CHEMBL514800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Apremilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958768", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOXSUPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958768, "molecule_chembl_id": "CHEMBL559180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOXSUPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957933", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957933, "molecule_chembl_id": "CHEMBL285819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.69", "alogp": "-1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-chloroadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956931", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956931, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962542", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962542, "molecule_chembl_id": "CHEMBL1331734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.34", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-625987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962543", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIPIFARNIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962543, "molecule_chembl_id": "CHEMBL289228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Tipifarnib (Zarnestra)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.427", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154278", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.95", "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154278, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154095", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLAPREZINC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154095, "molecule_chembl_id": "CHEMBL242948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Carnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152361", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Ro-281675", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152361, "molecule_chembl_id": "CHEMBL1096435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.52", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 28-1675"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147857", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147857, "molecule_chembl_id": "CHEMBL2029422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.60", "alogp": "3.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-4136309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148248", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRINABEREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148248, "molecule_chembl_id": "CHEMBL450940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.25", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Prinaberel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148681", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENEBRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148681, "molecule_chembl_id": "CHEMBL4065122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "664.81", "alogp": "3.57", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Fenebrutinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153772", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHOXAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153772, "molecule_chembl_id": "CHEMBL443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.28", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150028", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LB-100", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150028, "molecule_chembl_id": "CHEMBL4297300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.31", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LB-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154530", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154530, "molecule_chembl_id": "CHEMBL376379", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bemesetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154125", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154125, "molecule_chembl_id": "CHEMBL4203266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.96", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149849", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149849, "molecule_chembl_id": "CHEMBL1356346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.45", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH11110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(C[C@@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830723", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830723, "molecule_chembl_id": "CHEMBL351231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT 239 TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834443", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHICAGO SKY BLUE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834443, "molecule_chembl_id": "CHEMBL311909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "904.89", "alogp": "6.07", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "CHICAGO-SKY-BLUE-6B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834451", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834451, "molecule_chembl_id": "CHEMBL4303601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-4817"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835241", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STANOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835241, "molecule_chembl_id": "CHEMBL27769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dihydrotestosterone(DHT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1952", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835190", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835190, "molecule_chembl_id": "CHEMBL639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.91", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "azelastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.009467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830484", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPLASININ", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830484, "molecule_chembl_id": "CHEMBL325441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.39", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TIPLAXTININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830375", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-METHOXYCINNAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830375, "molecule_chembl_id": "CHEMBL95770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANS-4-METHOXYCINNAMIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830378", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830378, "molecule_chembl_id": "CHEMBL543113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.88", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-ALPHA-BIS-(4-FLUOROPHENYL)-METHOXYTROPANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835086", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIZATRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835086, "molecule_chembl_id": "CHEMBL905", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.35", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rizatriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02516", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835017", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITENPYRAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835017, "molecule_chembl_id": "CHEMBL259728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.72", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitenpyram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835611", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALETHAMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835611, "molecule_chembl_id": "CHEMBL2111176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valethamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830150", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830150, "molecule_chembl_id": "CHEMBL307639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMPX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830377", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830377, "molecule_chembl_id": "CHEMBL100259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.20", "alogp": "-2.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "URIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150411", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150411, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZOBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150403", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150403, "molecule_chembl_id": "CHEMBL1206440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM CYCLAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145904", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145904, "molecule_chembl_id": "CHEMBL332524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.19", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXAMETHONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146337", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146337, "molecule_chembl_id": "CHEMBL3039355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DANAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145932", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145932, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208(RVX-000222)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146336", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AN-2718", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146336, "molecule_chembl_id": "CHEMBL211538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.39", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "AN2718"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150905", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150905, "molecule_chembl_id": "CHEMBL3621966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.94", "alogp": "6.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150397", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFAMIDIS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150397, "molecule_chembl_id": "CHEMBL2103837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tafamidis"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150494", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARTAME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150494, "molecule_chembl_id": "CHEMBL171679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ASPARTAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145797", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-CARYOPHYLLENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145797, "molecule_chembl_id": "CHEMBL445740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "g-caryophyllene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC/C=C(\\C)CC[C@@H]2[C@@H]1CC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145657", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRITIOZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145657, "molecule_chembl_id": "CHEMBL1414826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulmetozine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146404", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146404, "molecule_chembl_id": "CHEMBL567341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cruzain-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(C#N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150399", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150399, "molecule_chembl_id": "CHEMBL4303358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1007.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "oxytocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAPAVERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151907, "molecule_chembl_id": "CHEMBL19224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.39", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145960", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-NITRENDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145960, "molecule_chembl_id": "CHEMBL251230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITRENDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963873", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963873, "molecule_chembl_id": "CHEMBL1732375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-218"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151870", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVAGACESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151870, "molecule_chembl_id": "CHEMBL1090771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.89", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BMS-708163 (Avagacestat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152437", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIQUIRTIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152437, "molecule_chembl_id": "CHEMBL252642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Liquiritigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148403", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148403, "molecule_chembl_id": "CHEMBL358150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148208", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOMOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148208, "molecule_chembl_id": "CHEMBL1702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ATOMOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147217", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORBITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147217, "molecule_chembl_id": "CHEMBL1682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-3.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MANNITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152922", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152922, "molecule_chembl_id": "CHEMBL1257423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147001", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMIPROSATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147001, "molecule_chembl_id": "CHEMBL149082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.18", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRAMIPROSATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147361", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "alpha-CYANO-4-HYDROXYCINNAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147361, "molecule_chembl_id": "CHEMBL76602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148912", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148912, "molecule_chembl_id": "CHEMBL604677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H2L 5765834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152816", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152816, "molecule_chembl_id": "CHEMBL1427719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-331218"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148313", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148313, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK591 (free_acid)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148484", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BESIGOMSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148484, "molecule_chembl_id": "CHEMBL403578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Schisandrol B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147237", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147237, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Page no 46, R2C1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151954", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151954, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU 7441"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151929", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151929, "molecule_chembl_id": "CHEMBL3604460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FLI-06"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959797", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDRASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959797, "molecule_chembl_id": "CHEMBL1256919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.40", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDRASTINE (1R; 9S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959798", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENSULIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959798, "molecule_chembl_id": "CHEMBL1987518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenylbenzimidazole-sulfonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959452", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959452, "molecule_chembl_id": "CHEMBL114898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYM-2206"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959250", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959250, "molecule_chembl_id": "CHEMBL71921", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Seratrodast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964419", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964419, "molecule_chembl_id": "CHEMBL505308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.23", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959515", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIORIDAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959515, "molecule_chembl_id": "CHEMBL1200916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.05", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "THIORIDAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957831", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957831, "molecule_chembl_id": "CHEMBL2177736", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.45", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P505-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962126", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MENBUTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962126, "molecule_chembl_id": "CHEMBL1972268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.27", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MENBUTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CCC(=O)O)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957535", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALIRASIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957535, "molecule_chembl_id": "CHEMBL23293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.55", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "SALIRASIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957551", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LASOFOXIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957551, "molecule_chembl_id": "CHEMBL328190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.56", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lasofoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963958", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963958, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957084", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957084, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961907", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961907, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957310", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957310, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961844", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEBUXOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961844, "molecule_chembl_id": "CHEMBL1164729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FEBUXOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957319", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957319, "molecule_chembl_id": "CHEMBL393525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.29", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-75"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962378", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINDESINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962378, "molecule_chembl_id": "CHEMBL2105882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "852.02", "alogp": "2.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vindesine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957779", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLODANRIGAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957779, "molecule_chembl_id": "CHEMBL34124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.59", "alogp": "5.44", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "EMA401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962383", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOVALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962383, "molecule_chembl_id": "CHEMBL17205", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclovalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCC/C(=C\\c3ccc(O)c(OC)c3)C2=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957782", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957782, "molecule_chembl_id": "CHEMBL370962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bay 60-7550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nc(O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962384", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962384, "molecule_chembl_id": "CHEMBL4070705", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-amine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.028", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2ccn(-c3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958018", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958018, "molecule_chembl_id": "CHEMBL1521142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.49", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-349422"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959089", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959089, "molecule_chembl_id": "CHEMBL3349991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.28", "alogp": "-1.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-(4-carboxyphenyl)-alpha-D-mannopyranosylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961271", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961271, "molecule_chembl_id": "CHEMBL49302", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.56", "alogp": "5.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY223982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956498", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTHRALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956498, "molecule_chembl_id": "CHEMBL46469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTHRALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2Cc2cccc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961081", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OBETICHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961081, "molecule_chembl_id": "CHEMBL566315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "INT-747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964207", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.00", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964207, "molecule_chembl_id": "CHEMBL505670", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.26", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC228155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152542", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152542, "molecule_chembl_id": "CHEMBL4558596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.78", "alogp": "1.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-368,899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2NC(=O)[C@H](N)CCS(C)(=O)=O)C3(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148342", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMINAZENE DIACETURATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148342, "molecule_chembl_id": "CHEMBL380216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.53", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMINAZENE ACETURATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835464", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOVAQUONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835464, "molecule_chembl_id": "CHEMBL1450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.84", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "atovaquone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1017", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835472", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZOSEMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835472, "molecule_chembl_id": "CHEMBL1097235", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.85", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "azosemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830769", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARIFENACIN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830769, "molecule_chembl_id": "CHEMBL1200935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DARIFENACIN HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835473", "_score": 6.448316, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIPONIMOD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835473, "molecule_chembl_id": "CHEMBL2336071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "6.77", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BAF312"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145752", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145752, "molecule_chembl_id": "CHEMBL269881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU-2058"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151401", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAPROXIRAL SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151401, "molecule_chembl_id": "CHEMBL2107744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Efaproxiral sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145770", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145770, "molecule_chembl_id": "CHEMBL3342553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.53", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 3000328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151712", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151712, "molecule_chembl_id": "CHEMBL33884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.51", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-113808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146195", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATIZORAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146195, "molecule_chembl_id": "CHEMBL1229569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.40", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "atizoram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146202", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISORHAMNETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146202, "molecule_chembl_id": "CHEMBL379064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.26", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISORHAMNETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150600", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150600, "molecule_chembl_id": "CHEMBL1318259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.47", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CSC(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150707", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARECOLINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150707, "molecule_chembl_id": "CHEMBL449209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARECOLINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COC(=O)C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150603", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150603, "molecule_chembl_id": "CHEMBL2105088", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151114", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUCATROPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151114, "molecule_chembl_id": "CHEMBL1618660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eucatropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151706", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANAXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151706, "molecule_chembl_id": "CHEMBL1568698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.53", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ganaxolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150840", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150840, "molecule_chembl_id": "CHEMBL3182014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.92", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bunazosin Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147359", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMMA-AMINOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147359, "molecule_chembl_id": "CHEMBL96", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "103.12", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "4-Aminobutyric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150418", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIACETAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150418, "molecule_chembl_id": "CHEMBL2106185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIACETAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145922", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-201724", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145922, "molecule_chembl_id": "CHEMBL18701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 20-1724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(CC2CNC(=O)N2)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151591", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALANGIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151591, "molecule_chembl_id": "CHEMBL309490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GALANGIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146029", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYDROGESTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146029, "molecule_chembl_id": "CHEMBL1200853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DYDROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145834", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145834, "molecule_chembl_id": "CHEMBL1331128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150677", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALNOCTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150677, "molecule_chembl_id": "CHEMBL1075733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Valnoctamide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(CC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150475", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBRISENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150475, "molecule_chembl_id": "CHEMBL1111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ambrisentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151377", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENSPIRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151377, "molecule_chembl_id": "CHEMBL1256849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.80", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENSPIRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146607", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146607, "molecule_chembl_id": "CHEMBL1896987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.84", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alizapride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152095", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUROFEXORATE ISOPROPYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152095, "molecule_chembl_id": "CHEMBL454138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.47", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Turofexorate Isopropyl (XL335)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152096", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152096, "molecule_chembl_id": "CHEMBL4303368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZLN005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(-c2nc3ccccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150922", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150922, "molecule_chembl_id": "CHEMBL13786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.67", "alogp": "-0.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Met-Enkephalin (trifluoroacetate salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145872", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145872, "molecule_chembl_id": "CHEMBL359744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "doxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964216", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "8.00", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964216, "molecule_chembl_id": "CHEMBL3963349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "668.67", "alogp": "0.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Z-DEVD-FMK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)C(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959755", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959755, "molecule_chembl_id": "CHEMBL1236620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.19", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KH-CB19"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(/C(C#N)=C\\N)c2ccc(Cl)c(Cl)c2n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959759", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959759, "molecule_chembl_id": "CHEMBL128672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ciproxifan Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.601", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960215", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960215, "molecule_chembl_id": "CHEMBL428462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AT7867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960218", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960218, "molecule_chembl_id": "CHEMBL422942", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-160170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960137", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960137, "molecule_chembl_id": "CHEMBL3931570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DC-260126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964224", "_score": 6.448316, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964224, "molecule_chembl_id": "CHEMBL1397952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HQ-415"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "270.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963855", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963855, "molecule_chembl_id": "CHEMBL3770173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OF-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.743", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963923", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963923, "molecule_chembl_id": "CHEMBL405759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TWS-119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-38.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152301", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152301, "molecule_chembl_id": "CHEMBL4303169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Aprepitant (MK-0869)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959923", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIXANTHOGEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959923, "molecule_chembl_id": "CHEMBL331743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.41", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dixanthogen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=S)SSC(=S)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959100", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959100, "molecule_chembl_id": "CHEMBL149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.51", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naltrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961520", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALPROATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961520, "molecule_chembl_id": "CHEMBL433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.20", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALPROATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963806", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963806, "molecule_chembl_id": "CHEMBL507046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-Hydroxycrotonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961442", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961442, "molecule_chembl_id": "CHEMBL4303275", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.40", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR131675"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961529", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961529, "molecule_chembl_id": "CHEMBL4303509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "161.25", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "org-9768"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CN)Cc2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961618", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961618, "molecule_chembl_id": "CHEMBL2069623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.82", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4800567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961306", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961306, "molecule_chembl_id": "CHEMBL444478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "624.59", "alogp": "-1.02", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Verbascoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956530", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956530, "molecule_chembl_id": "CHEMBL4564280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.50", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FM-381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955766", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROSPIRENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955766, "molecule_chembl_id": "CHEMBL1509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1,2-Dihydrospirorenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955598", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DORIPENEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955598, "molecule_chembl_id": "CHEMBL491571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doripenem\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963461", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLMESARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963461, "molecule_chembl_id": "CHEMBL1516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Olmesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.815", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959246", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959246, "molecule_chembl_id": "CHEMBL1335195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "821.14", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IOHEXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148894", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148894, "molecule_chembl_id": "CHEMBL2106126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.01", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Delapril HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153364", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153364, "molecule_chembl_id": "CHEMBL1230609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "632.66", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Foretinib (GSK1363089; XL880)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153271", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153271, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "Rifapentine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153227", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-733", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153227, "molecule_chembl_id": "CHEMBL1615025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.23", "alogp": "1.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153741", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRENOLANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153741, "molecule_chembl_id": "CHEMBL2105728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Crenolanib (CP-868596)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148772", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148772, "molecule_chembl_id": "CHEMBL4303443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.58", "alogp": "0.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefetamet pivoxil (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149132", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYFLURANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149132, "molecule_chembl_id": "CHEMBL1341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.97", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(2;2-Dichloro-1;1-difluoroethyl) methyl ether"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(F)(F)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153747", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153747, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "silver-sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149125", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLINABULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149125, "molecule_chembl_id": "CHEMBL1096380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.40", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "plinabulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1[nH]cnc1/C=c1\\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153570", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYTOLUIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153570, "molecule_chembl_id": "CHEMBL448399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYTOLUIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153800", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153800, "molecule_chembl_id": "CHEMBL1829305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.94", "alogp": "6.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152669", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152669, "molecule_chembl_id": "CHEMBL1200776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.88", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMG-073 HCl (Cinacalcet hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149604", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETRIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149604, "molecule_chembl_id": "CHEMBL38938", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.13", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETRIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154107", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154107, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153445", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153445, "molecule_chembl_id": "CHEMBL105867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.54", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ceramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149154", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLANILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149154, "molecule_chembl_id": "CHEMBL82970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYLSALICYLANILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149838", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149838, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149844", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-680632", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149844, "molecule_chembl_id": "CHEMBL363160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.64", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHA-680632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153714", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMEQUINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153714, "molecule_chembl_id": "CHEMBL370252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.25", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMEQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153555", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153555, "molecule_chembl_id": "CHEMBL3699142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-847325"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(CN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149310", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(PHTHALOCYANINATO)ZINC(II)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149310, "molecule_chembl_id": "CHEMBL2373172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.93", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ciaftalan-zinc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[Zn+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153824", "_score": 6.448316, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-9496", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153824, "molecule_chembl_id": "CHEMBL3623004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD9496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959539", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959539, "molecule_chembl_id": "CHEMBL130865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.16", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxfenicine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959611", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959611, "molecule_chembl_id": "CHEMBL1530428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXAMETHASONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959436", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLENBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959436, "molecule_chembl_id": "CHEMBL1330729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.66", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLENBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964348", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964348, "molecule_chembl_id": "CHEMBL403183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962945", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-5438", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962945, "molecule_chembl_id": "CHEMBL488436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD5438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959516", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMOBENDAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959516, "molecule_chembl_id": "CHEMBL24646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pimobendan (Vetmedin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1997", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959518", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GINSENOSIDE RD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959518, "molecule_chembl_id": "CHEMBL473659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "947.17", "alogp": "-0.03", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Ginsenoside Rd"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.699", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959060", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINALOOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959060, "molecule_chembl_id": "CHEMBL25306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "linalool"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(O)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963666", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963666, "molecule_chembl_id": "CHEMBL595092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "692.88", "alogp": "8.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM679"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OC[C@@H]5Cc6ccccc6N5C(C)=O)ccc43)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959064", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959064, "molecule_chembl_id": "CHEMBL1514683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.35", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxprenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OC[C@H](O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959068", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REBOXETINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959068, "molecule_chembl_id": "CHEMBL2146087", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.50", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "reboxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963675", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARECOLINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963675, "molecule_chembl_id": "CHEMBL449209", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARECOLINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COC(=O)C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959072", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZASETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959072, "molecule_chembl_id": "CHEMBL1598608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.82", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azasetron HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963677", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963677, "molecule_chembl_id": "CHEMBL842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963679", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963679, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959075, "molecule_chembl_id": "CHEMBL3604460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FLI-06"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.994", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963681", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEGASEROD MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963681, "molecule_chembl_id": "CHEMBL1516474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TEGASEROD MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959081", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLPREDNISOLONE SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959081, "molecule_chembl_id": "CHEMBL1201081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "496.53", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE SODIUM SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963691", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PUERARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963691, "molecule_chembl_id": "CHEMBL486386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Puerarin (Kakonein)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-39.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959087", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959087, "molecule_chembl_id": "CHEMBL1340458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.22", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sal003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963694", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROCRESOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963694, "molecule_chembl_id": "CHEMBL1230222", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "142.58", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROCRESOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963695", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963695, "molecule_chembl_id": "CHEMBL37081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-TEDC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCCc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963209", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FUROSEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963209, "molecule_chembl_id": "CHEMBL35", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.75", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FUROSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958898", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958898, "molecule_chembl_id": "CHEMBL4303166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "centpropazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2489", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958901", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958901, "molecule_chembl_id": "CHEMBL1445833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHISTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.809", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958714", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958714, "molecule_chembl_id": "CHEMBL211045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.50", "alogp": "5.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Nutlin-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962957", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962957, "molecule_chembl_id": "CHEMBL3785668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.87", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BET-BAY 002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963223", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSTHOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963223, "molecule_chembl_id": "CHEMBL52229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Osthole (Osthol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7841", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2ccc(=O)oc2c1CC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958648", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOPINDOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958648, "molecule_chembl_id": "CHEMBL357995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bopindolol malonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.362", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963258", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELPHINIDIN CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963258, "molecule_chembl_id": "CHEMBL590878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.70", "alogp": "2.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "delphinidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963264", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963264, "molecule_chembl_id": "CHEMBL514554", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.50", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-573228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963268", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963268, "molecule_chembl_id": "CHEMBL4224714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX-647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964356", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964356, "molecule_chembl_id": "CHEMBL1188627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-202676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958361", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958361, "molecule_chembl_id": "CHEMBL560537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.40", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958631", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958631, "molecule_chembl_id": "CHEMBL4303492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1486.09", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Bacitracin (Zinc)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958243", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958243, "molecule_chembl_id": "CHEMBL1312935", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.37", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-324168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959095", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959095, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRAMIZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827335", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.92", "bao_label": "organism-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827335, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole Vetranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11920.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834859", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834859, "molecule_chembl_id": "CHEMBL75232", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "464.91", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VATALANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836442", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INOSITOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836442, "molecule_chembl_id": "CHEMBL1222251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "i-Inositol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1465", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833948", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMOFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833948, "molecule_chembl_id": "CHEMBL2106730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIMOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829243", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HARMAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829243, "molecule_chembl_id": "CHEMBL12014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.23", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HARMANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccc2c1[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834587", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834587, "molecule_chembl_id": "CHEMBL4303518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.24", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PERCHLOZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)NN=Cc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838836", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARTIAL ACTIVE CC50==IC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838836, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "181.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834160", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREMELANOTIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834160, "molecule_chembl_id": "CHEMBL2070241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1025.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "BREMELANOTIDE (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834676", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.24 \u00b1 0.07", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.62", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834676, "molecule_chembl_id": "CHEMBL2094620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829246", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829246, "molecule_chembl_id": "CHEMBL1358662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPRANOLOL-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829890", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829890, "molecule_chembl_id": "CHEMBL47850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.37", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1553A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1CCSc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835200", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLADRIBINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835200, "molecule_chembl_id": "CHEMBL1619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.69", "alogp": "-0.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cladribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830291", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830291, "molecule_chembl_id": "CHEMBL328710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.33", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-4312"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838979", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50 < IC50 BUT CC ONLY GOES TO 25%", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838979, "molecule_chembl_id": "CHEMBL4303785", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1032.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PS3061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.49", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)CC1NC(=O)C(Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CCC#N)OC(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829743", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829743, "molecule_chembl_id": "CHEMBL35482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-98059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(=O)c3ccccc3o2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830148", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYLAMINE SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830148, "molecule_chembl_id": "CHEMBL1200392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.46", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXYLAMINE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834994", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834994, "molecule_chembl_id": "CHEMBL4303443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.58", "alogp": "0.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "cefetamet-pivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830381", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINOPIRDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830381, "molecule_chembl_id": "CHEMBL319111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.47", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINOPIRDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833572", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833572, "molecule_chembl_id": "CHEMBL4078477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RGFP966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(F)ccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834055", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GINSENOSIDE RD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834055, "molecule_chembl_id": "CHEMBL473659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "947.17", "alogp": "-0.03", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "GINSENOSIDE RD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829360", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829360, "molecule_chembl_id": "CHEMBL1200469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834137", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUPLATAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834137, "molecule_chembl_id": "CHEMBL1180156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.45", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUPLATAST (TOSYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834140", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METIPRANOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834140, "molecule_chembl_id": "CHEMBL1291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METIPRANOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833648", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833648, "molecule_chembl_id": "CHEMBL2322946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RAC-BHFF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(O)(C(F)(F)F)C(=O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828858", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAMINOSALOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828858, "molecule_chembl_id": "CHEMBL92590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acetaminosalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828859", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFOCTOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828859, "molecule_chembl_id": "CHEMBL1476605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clofoctol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834849", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834849, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834851", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834851, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836427", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUXIBUZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836427, "molecule_chembl_id": "CHEMBL1414320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "suxibuzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834854", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834854, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BREXPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829757", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLURACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829757, "molecule_chembl_id": "CHEMBL37935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COLURACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836540", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACAMPROSATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836540, "molecule_chembl_id": "CHEMBL1201293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.21", "alogp": "-0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acamprosate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1885", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835178", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZUCLOPENTHIXOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835178, "molecule_chembl_id": "CHEMBL53904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.98", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "zuclopenthixol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831762", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831762, "molecule_chembl_id": "CHEMBL576786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.49", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JZL184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834983", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISOPROLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834983, "molecule_chembl_id": "CHEMBL645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bisoprolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833670", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINESTROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833670, "molecule_chembl_id": "CHEMBL1201165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "QUINESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833469", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833469, "molecule_chembl_id": "CHEMBL3633720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.79", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-63533054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828971", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACARBAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828971, "molecule_chembl_id": "CHEMBL139877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfacarbamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3788", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828773", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRENOTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828773, "molecule_chembl_id": "CHEMBL485683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrenosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828774", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828774, "molecule_chembl_id": "CHEMBL6705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Aminobenzenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1S(N)(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829335", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBENPROPIT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829335, "molecule_chembl_id": "CHEMBL14690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.84", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOBENPROPIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832022", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYCLONINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832022, "molecule_chembl_id": "CHEMBL1200478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DYCLONINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830132", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEATANNOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830132, "molecule_chembl_id": "CHEMBL69863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PICEATANNOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827319", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.59", "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827319, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Dihydrochloride Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838975", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INCONCLUSIVE, MAYBE CYTOTOXIC", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838975, "molecule_chembl_id": "CHEMBL4303785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1032.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PS3061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC1NC(=O)C(Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CCC#N)OC(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833952", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833952, "molecule_chembl_id": "CHEMBL113180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1onc(O)c1CC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833958", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833958, "molecule_chembl_id": "CHEMBL348639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENYLPIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(c2ccccc2)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829259", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLOFENAMATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829259, "molecule_chembl_id": "CHEMBL1562610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECLOFENAMATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833960", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833960, "molecule_chembl_id": "CHEMBL408430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.34", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-1241"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834130", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NUCLOMEDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834130, "molecule_chembl_id": "CHEMBL2106465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.76", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NUCLOMEDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828834", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828834, "molecule_chembl_id": "CHEMBL1499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cortisone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.167", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833749", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833749, "molecule_chembl_id": "CHEMBL3039089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANDOLAPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833754", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORITAVANCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833754, "molecule_chembl_id": "CHEMBL1688530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1793.12", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ORITAVANCIN (DIPHOSPHATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829054", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE DINITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829054, "molecule_chembl_id": "CHEMBL6622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE DINITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827402", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827402, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833896", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALETHAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833896, "molecule_chembl_id": "CHEMBL2111176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VALETHAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834812", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALVOCIDIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834812, "molecule_chembl_id": "CHEMBL2105698", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ALVOCIDIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838996", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838996, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "252.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829374", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829374, "molecule_chembl_id": "CHEMBL277525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829378", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHICILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829378, "molecule_chembl_id": "CHEMBL3181832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.42", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHICILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836536", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALANTAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836536, "molecule_chembl_id": "CHEMBL659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Galanthamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2532", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829451", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARIMASTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829451, "molecule_chembl_id": "CHEMBL279785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.41", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MARIMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834580", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834580, "molecule_chembl_id": "CHEMBL4303694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-DEMETHYLANTIPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834681", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.64 \u00b1 0.53", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.19", "bao_label": "organism-based format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834681, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833734", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833734, "molecule_chembl_id": "CHEMBL3039312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.61", "alogp": "-8.42", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "AMIKACIN HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828872", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBINOXAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828872, "molecule_chembl_id": "CHEMBL1200974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.87", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbinoxamine maleate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833437", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIRABRESIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833437, "molecule_chembl_id": "CHEMBL3581647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OTX015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828734", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828734, "molecule_chembl_id": "CHEMBL1557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dopamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833440, "molecule_chembl_id": "CHEMBL3582252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829440, "molecule_chembl_id": "CHEMBL1490875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.06", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMETIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.N=C(N)SCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829441", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBUCOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829441, "molecule_chembl_id": "CHEMBL608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.86", "alogp": "9.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PROBUCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828730", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828730, "molecule_chembl_id": "CHEMBL1256723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Doxycycline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833434", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833434, "molecule_chembl_id": "CHEMBL3353187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.87", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-2444697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834025", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834025, "molecule_chembl_id": "CHEMBL1256776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS1845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829332", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829332, "molecule_chembl_id": "CHEMBL2139597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PILOCARPINE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)OC[C@@H]1CC1=CN=C[NH+]1C.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827405", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303831", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827405, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of SARS-CoV-2 infection by time of addition assay, with 50uM hydroxychloroquine administered at -2hrs, 0 hrs and 2hrs post-infection", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838711", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838711, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "389.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838876", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838876, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.787", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833478", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAGLENASTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833478, "molecule_chembl_id": "CHEMBL3639788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.59", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TELAGLENASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830299", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COSTUNOLIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830299, "molecule_chembl_id": "CHEMBL86416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.32", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COSTUNOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\C)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835217", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835217, "molecule_chembl_id": "CHEMBL4303178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.64", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "colforsin-daproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827235", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827235, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832515", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832515, "molecule_chembl_id": "CHEMBL1571863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ISOCONAZOLE NITRATE (TRAVOGEN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832420", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832420, "molecule_chembl_id": "CHEMBL1474985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.24", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-198306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832523", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXINIACIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832523, "molecule_chembl_id": "CHEMBL1591725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.11", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXINIACIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc[n+]([O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832423", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFOCTOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832423, "molecule_chembl_id": "CHEMBL1476605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clofoctol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832525", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832525, "molecule_chembl_id": "CHEMBL1593717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-162846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CCCCn1ccc(/N=C(\\N)NCC(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827728", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827728, "molecule_chembl_id": "CHEMBL1200791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxymetazoline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08485", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827829", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICARDIPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827829, "molecule_chembl_id": "CHEMBL1200326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.99", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicardipine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827735", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827735, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carmofur"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0542", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827907", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLTHIOURACIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827907, "molecule_chembl_id": "CHEMBL1518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.24", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propylthiouracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832619", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832619, "molecule_chembl_id": "CHEMBL1673039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.55", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ERK5-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832013", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCETIRIZINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832013, "molecule_chembl_id": "CHEMBL1201190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOCETIRIZINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829714", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFOBATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829714, "molecule_chembl_id": "CHEMBL284768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.65", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIFOBATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833428", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPACADOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833428, "molecule_chembl_id": "CHEMBL3545369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.24", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "4f; INCB24360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829448", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAVERIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829448, "molecule_chembl_id": "CHEMBL19633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diaveridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2cnc(N)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829449", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAXENTAN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829449, "molecule_chembl_id": "CHEMBL2105740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.90", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAXSENTAN (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834528", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834528, "molecule_chembl_id": "CHEMBL4303204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.39", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANS-4-[8-(3-FLUOROPHENYL)-1,7-NAPHTHYRIDIN-6-YL]CYCLOHEXANECARBOXYLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828752", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOLDOPAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828752, "molecule_chembl_id": "CHEMBL588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.76", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenoldopam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.078", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834530", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834530, "molecule_chembl_id": "CHEMBL4303234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.54", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AS-2034178"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc3c2CCCN3CCOc2ccccc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829835", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829835, "molecule_chembl_id": "CHEMBL41040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.62", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-CHLOROPHENYLGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834536, "molecule_chembl_id": "CHEMBL4303191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.53", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "COMPOUND-58112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CN2C[Si](C)(C)O[Si](C)(C)C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834539", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834539, "molecule_chembl_id": "CHEMBL4303399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7,8,9,10-TETRAHYDROAZEPINO[2,1-B]QUINAZOLIN-12(6H)-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2NC2=CCCCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829840", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829840, "molecule_chembl_id": "CHEMBL1707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.51", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834540", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXALIPLATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834540, "molecule_chembl_id": "CHEMBL414804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 4, "image_file": "smallMolecule.svg", "compound_key": "OXALIPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829842", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829842, "molecule_chembl_id": "CHEMBL297784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-206553"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829849", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRODAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829849, "molecule_chembl_id": "CHEMBL298019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRODAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834550", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834550, "molecule_chembl_id": "CHEMBL4303387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.30", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK-962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829851", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829851, "molecule_chembl_id": "CHEMBL412437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.63", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DIOSGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833889", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833889, "molecule_chembl_id": "CHEMBL4303494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1526.77", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "LINACLOTIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)NC([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833566", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833566, "molecule_chembl_id": "CHEMBL4068896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.39", "alogp": "6.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BLU9931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829083", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829083, "molecule_chembl_id": "CHEMBL1280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.07", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VERAPAMIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833570", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833570, "molecule_chembl_id": "CHEMBL4073922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "691.64", "alogp": "8.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "28; GSK2193874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834070", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834070, "molecule_chembl_id": "CHEMBL1871851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FORMESTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829375", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINDANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829375, "molecule_chembl_id": "CHEMBL15891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.83", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINDANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834082", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUROTHIOGLUCOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834082, "molecule_chembl_id": "CHEMBL2354773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "AUROTHIOGLUCOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834135", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834135, "molecule_chembl_id": "CHEMBL4303409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.32", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZENEMETHANOL,-2,5-DIMETHYL-[[(1-METHYLETHYL)AMINO]METHYL]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(C(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829435", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829435, "molecule_chembl_id": "CHEMBL2104137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.95", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833443", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833443, "molecule_chembl_id": "CHEMBL3586573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.36", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CC-115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833642", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833642, "molecule_chembl_id": "CHEMBL603764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADENOSINE 5-MONOPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833452", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGM-097", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833452, "molecule_chembl_id": "CHEMBL3601398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "659.27", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "NVP-CGM097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834148", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834148, "molecule_chembl_id": "CHEMBL4303279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.08", "alogp": "6.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1-R"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834529", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834529, "molecule_chembl_id": "CHEMBL4303278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.37", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANTHRANILIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830126", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830126, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STAVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832023", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAMANDOLE NAFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832023, "molecule_chembl_id": "CHEMBL1618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAMANDOLE NAFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830091", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830091, "molecule_chembl_id": "CHEMBL294803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.67", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-29794 OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828832", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTOLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828832, "molecule_chembl_id": "CHEMBL1204146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.82", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phentolamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXFENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833755, "molecule_chembl_id": "CHEMBL42442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OXFENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828845", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828845, "molecule_chembl_id": "CHEMBL54126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Neostigmine bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832136", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMEFOLATE CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832136, "molecule_chembl_id": "CHEMBL1615371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.53", "alogp": "-0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LEVOMEFOLATE (CALCIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOPROLOL TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829062, "molecule_chembl_id": "CHEMBL2062335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "684.82", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOPROLOL TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829064", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829064, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "FENRETINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834053", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834053, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NISOLDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834054", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834054, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NILVADIPINE (ARC029)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834094", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834094, "molecule_chembl_id": "CHEMBL3348832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.15", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHIKIMIC ACID (SHIKIMATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CC(O)C(O)[C@H](O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829398", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHS-828", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829398, "molecule_chembl_id": "CHEMBL17289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CHS-828"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN/C(=N\\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829412", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTOLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829412, "molecule_chembl_id": "CHEMBL1204146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.82", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phentolamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829417", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOLEVULINIC ACID HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829417, "molecule_chembl_id": "CHEMBL1200582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.59", "alogp": "-0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOLEVULINIC ACID HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830894", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830894, "molecule_chembl_id": "CHEMBL1446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.58", "alogp": "-7.29", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "KANAMYCIN A SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831151", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831151, "molecule_chembl_id": "CHEMBL238125", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.76", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830942", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIQUIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830942, "molecule_chembl_id": "CHEMBL383634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.64", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "GLIQUIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830946", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830946, "molecule_chembl_id": "CHEMBL202721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-447439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831159", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COROSOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831159, "molecule_chembl_id": "CHEMBL391533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COROSOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830860", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESFLURBIPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830860, "molecule_chembl_id": "CHEMBL435298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FLURBIPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963288", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963288, "molecule_chembl_id": "CHEMBL526281", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.38", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-582941"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836151", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICARDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836151, "molecule_chembl_id": "CHEMBL1484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.53", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicardipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831280", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831280, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LUMIRACOXIB (COX-189)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830997", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GARENOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830997, "molecule_chembl_id": "CHEMBL3183451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.54", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GARENOXACIN (MESYLATE HYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831835", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVARACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831835, "molecule_chembl_id": "CHEMBL607400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.29", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BRIVARACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838785", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838785, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "176.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831838", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEFURALINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831838, "molecule_chembl_id": "CHEMBL1076256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.39", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEFURALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838791", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE MAY MAKE IT WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838791, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "271.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838794", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE MAY MAKE IT WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838794, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7762.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831846", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831846, "molecule_chembl_id": "CHEMBL1087641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.58", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GENZ-123346 (FREE BASE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836319", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDAFENACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836319, "molecule_chembl_id": "CHEMBL53366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Imidafenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.008612", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827297", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827297, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Loperamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832009, "molecule_chembl_id": "CHEMBL1201139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEGESTROL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831103", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMPYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831103, "molecule_chembl_id": "CHEMBL388560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMPYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831027", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831027, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BRINZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838754", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838754, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Compound 10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831744", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831744, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "RAF265 (CHIR-265)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831813", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831813, "molecule_chembl_id": "CHEMBL591501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.56", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-03049423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838770", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838770, "molecule_chembl_id": "CHEMBL4125931", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.37", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(N)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838771", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838771, "molecule_chembl_id": "CHEMBL4125931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "645.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(N)=O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830977", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830977, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYL-NICOTINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836073", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALLORPHAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836073, "molecule_chembl_id": "CHEMBL1254682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.41", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levallorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831202", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831202, "molecule_chembl_id": "CHEMBL399572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.37", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REMODELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2csc(NN=C3CCCC3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836060", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALACYCLOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836060, "molecule_chembl_id": "CHEMBL1349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valaciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03059", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831195", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-NITROINDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831195, "molecule_chembl_id": "CHEMBL247378", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.14", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-NITROINDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2cn[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831197", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831197, "molecule_chembl_id": "CHEMBL247920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.56", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-309403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831199", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEOYL DOPAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831199, "molecule_chembl_id": "CHEMBL250711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.63", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964204", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.50", "bao_label": "assay format", "molecule_pref_name": "RAZOXANE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964204, "molecule_chembl_id": "CHEMBL444186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Razoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3190.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959266", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLEMANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959266, "molecule_chembl_id": "CHEMBL18972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-11939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963715", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORFENSON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963715, "molecule_chembl_id": "CHEMBL499017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.17", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorfenson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.316", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959172", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959172, "molecule_chembl_id": "CHEMBL2064244", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Golgicide A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.903", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963878", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963878, "molecule_chembl_id": "CHEMBL425027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENTAMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959177, "molecule_chembl_id": "CHEMBL3545213", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.56", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bentamapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.398", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1)c1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963881", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APREMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963881, "molecule_chembl_id": "CHEMBL514800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Apremilast (CC-10004)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959179", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959179, "molecule_chembl_id": "CHEMBL4303477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.47", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butylscopolamine bromide (Scopolamine butylb"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRILOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959180, "molecule_chembl_id": "CHEMBL1200586", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRILOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)C(=O)Nc1ccccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963883", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHAMBUTOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963883, "molecule_chembl_id": "CHEMBL3140361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.24", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMBUTOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959282", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959282, "molecule_chembl_id": "CHEMBL3039603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.16", "alogp": "-3.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "hexonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(O)C(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959191", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959191, "molecule_chembl_id": "CHEMBL4303301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ticarcillin (disodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963800", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENDOXIFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963800, "molecule_chembl_id": "CHEMBL1093458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.50", "alogp": "5.36", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Endoxifen HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959196", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959196, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COLFORSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959412", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIPRENOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959412, "molecule_chembl_id": "CHEMBL2111163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.38", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiprenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccccc1OCC(O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963964", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963964, "molecule_chembl_id": "CHEMBL469045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.50", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Istaroxime (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959520", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959520, "molecule_chembl_id": "CHEMBL472694", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.25", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NCS-382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.654", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C1\\CCCc2ccccc2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964130", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964130, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958335", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958335, "molecule_chembl_id": "CHEMBL4571597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVONORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958696", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958696, "molecule_chembl_id": "CHEMBL375312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK429286A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.875", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963256", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROXURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963256, "molecule_chembl_id": "CHEMBL222280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.10", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-BrdU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958649", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RACEPINEPHRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958649, "molecule_chembl_id": "CHEMBL1740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963826", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXATECAN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963826, "molecule_chembl_id": "CHEMBL3989759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "567.59", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Exatecan Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959135", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959135, "molecule_chembl_id": "CHEMBL161500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.38", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CI-923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(C)CN1CCc2c(c(=O)oc3ccccc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958654", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHIOTHEPIN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958654, "molecule_chembl_id": "CHEMBL1256737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.67", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METITEPINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.834", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963656", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963656, "molecule_chembl_id": "CHEMBL4303439", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.49", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tetradecyl Nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959056", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORNIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959056, "molecule_chembl_id": "CHEMBL1449676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.63", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ORNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958248", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958248, "molecule_chembl_id": "CHEMBL7660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.19", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCN(c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958646", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESMOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958646, "molecule_chembl_id": "CHEMBL1201115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Esmolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964029", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964029, "molecule_chembl_id": "CHEMBL1241268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.22", "alogp": "0.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pifithrin-mu"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)C#Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959043", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENILSETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959043, "molecule_chembl_id": "CHEMBL2104853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tenilsetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.956", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCNC1c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964357", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDREXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964357, "molecule_chembl_id": "CHEMBL1256832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydrexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959120", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959120, "molecule_chembl_id": "CHEMBL1555751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.89", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959526", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959526, "molecule_chembl_id": "CHEMBL376379", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bemesetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963183", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOPIROXOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963183, "molecule_chembl_id": "CHEMBL1078685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Topiroxostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.044", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEPOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957750, "molecule_chembl_id": "CHEMBL3402762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.58", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tepotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963500", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLTESTOSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963500, "molecule_chembl_id": "CHEMBL1395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "17alpha -Methyltestosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962937", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962937, "molecule_chembl_id": "CHEMBL291143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A77636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963299", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVANICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963299, "molecule_chembl_id": "CHEMBL132966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RJR 2403 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957377", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957377, "molecule_chembl_id": "CHEMBL606298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961991", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961991, "molecule_chembl_id": "CHEMBL4059722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRAMADOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962347", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962347, "molecule_chembl_id": "CHEMBL1398351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.48", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Gabexate (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962048", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFTAZIDIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962048, "molecule_chembl_id": "CHEMBL44354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.59", "alogp": "-1.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ceftazidime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963476", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963476, "molecule_chembl_id": "CHEMBL4303259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-5601640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.485", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958687", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958687, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONENSIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957824", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DINOPROSTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957824, "molecule_chembl_id": "CHEMBL548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DINOPROSTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962337", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYBENZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962337, "molecule_chembl_id": "CHEMBL1625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-HYDROXY-4-METHOXY-BENZOPHENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828846", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPERIDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828846, "molecule_chembl_id": "CHEMBL297302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.45", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4246", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830063", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830063, "molecule_chembl_id": "CHEMBL294747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR 103691"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831455", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEGILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831455, "molecule_chembl_id": "CHEMBL2106694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.69", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOFEGILINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC/C(=C/F)CCc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830940", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESIQUIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830940, "molecule_chembl_id": "CHEMBL383322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RESIQUIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831113", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831113, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVAMISOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831115", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-BENZYLAMINOPURINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831115, "molecule_chembl_id": "CHEMBL228862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-BENZYLAMINOPURINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2ncnc3[nH]cnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831022", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX]", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831022, "molecule_chembl_id": "CHEMBL183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DPCPX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836084", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LONIDAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836084, "molecule_chembl_id": "CHEMBL1257030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.16", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lonidamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831226", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831226, "molecule_chembl_id": "CHEMBL399251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.48", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-TRITYL-L-CYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838749", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838749, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.352", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831735", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERASIROX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831735, "molecule_chembl_id": "CHEMBL550348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEFERASIROX (EXJADE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831738", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831738, "molecule_chembl_id": "CHEMBL556667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.67", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0364770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838767", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838767, "molecule_chembl_id": "CHEMBL4125931", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.776", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(N)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829207", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFIMOXIFENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829207, "molecule_chembl_id": "CHEMBL489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "AFIMOXIFENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830120", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830120, "molecule_chembl_id": "CHEMBL66114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.11", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-39604"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830122", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERAQUINE TETRAPHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830122, "molecule_chembl_id": "CHEMBL1652442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "927.50", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "1,3-BIS[4-(7-CHLORO-4-QUINOLINYL)-1-PIPERAZINYL]PROPANE TETRAPHOSPHATE TETRAHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838997", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838997, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.664", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831886", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPLERENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831886, "molecule_chembl_id": "CHEMBL1095097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPLERENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836107", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESALAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836107, "molecule_chembl_id": "CHEMBL704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesalamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831031", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROPIPRANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831031, "molecule_chembl_id": "CHEMBL426559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LAROPIPRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835904", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835904, "molecule_chembl_id": "CHEMBL367788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.14", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Didox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1979", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956674", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFEROXAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956674, "molecule_chembl_id": "CHEMBL556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.69", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Deferoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRYPTOTANSHINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956983, "molecule_chembl_id": "CHEMBL187460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRYPTOTANSHINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961702", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961702, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLSTILBESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961704", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETULINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961704, "molecule_chembl_id": "CHEMBL269277", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Betulinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836579", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.168747786,0.045882357)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836579, "molecule_chembl_id": "CHEMBL429298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.83", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1073", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831630", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARBOFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831630, "molecule_chembl_id": "CHEMBL478120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MARBOFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831714", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBEKACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831714, "molecule_chembl_id": "CHEMBL560976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.52", "alogp": "-5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DIBEKACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836519", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAMAZEPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836519, "molecule_chembl_id": "CHEMBL108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbamazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2353", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838757", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE GOES DOWN TO 75% MAYBE PARTIAL ANTAGONIST", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838757, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Compound 10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "233.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836407", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILUTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836407, "molecule_chembl_id": "CHEMBL1274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.22", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nilutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.005506", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831537", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ODANACATIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831537, "molecule_chembl_id": "CHEMBL481611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.57", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ODANACATIB (MK 0822)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836471", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836471, "molecule_chembl_id": "CHEMBL806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831492", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRX-08066", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831492, "molecule_chembl_id": "CHEMBL4297322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.97", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRX-08066 MALEIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836517", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESFLURBIPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836517, "molecule_chembl_id": "CHEMBL435298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flurbiprofen-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1907", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836441", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELETRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836441, "molecule_chembl_id": "CHEMBL1510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.53", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eletriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1607", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831613", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CG-400549", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831613, "molecule_chembl_id": "CHEMBL488937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.45", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-(3-AMINO-2-METHYL-BENZYL)-4-(2-THIOPHEN-2-YL-ETHOXY)-2-PYRIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836510", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIMAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836510, "molecule_chembl_id": "CHEMBL508102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)n1ccn(C)c1=S", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831169", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELCAGEPANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831169, "molecule_chembl_id": "CHEMBL236593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.53", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TELCAGEPANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836397", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIBOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836397, "molecule_chembl_id": "CHEMBL2103774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tibolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836370", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEDAQUILINE FUMARATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836370, "molecule_chembl_id": "CHEMBL2105700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "671.59", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bedaquiline fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01452", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836409", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLEROXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836409, "molecule_chembl_id": "CHEMBL6273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fleroxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830903", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONOBENZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830903, "molecule_chembl_id": "CHEMBL1388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MONOBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830920", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830920, "molecule_chembl_id": "CHEMBL7064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRAZOLANTHRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2n[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835518", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835518, "molecule_chembl_id": "CHEMBL4", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08432", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835520", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835520, "molecule_chembl_id": "CHEMBL1200692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.60", "alogp": "4.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Olmesartan medoxomil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830817", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEKALANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830817, "molecule_chembl_id": "CHEMBL360861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.46", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFEKALANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835522", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLPRINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835522, "molecule_chembl_id": "CHEMBL1474900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.26", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "olprinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834930", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTANOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834930, "molecule_chembl_id": "CHEMBL26215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.23", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-Octanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.003184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834932", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRONARIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834932, "molecule_chembl_id": "CHEMBL35228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.06", "alogp": "6.09", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827848", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFOSTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827848, "molecule_chembl_id": "CHEMBL1006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.23", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amifostine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCSP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835600", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITODRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835600, "molecule_chembl_id": "CHEMBL83063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ritodrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830707", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXITRIPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830707, "molecule_chembl_id": "CHEMBL350221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-HYDROXYTRYPTOPHAN (5-HTP)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833206", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833206, "molecule_chembl_id": "CHEMBL3039507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.95", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOTAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830779", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830779, "molecule_chembl_id": "CHEMBL174588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-16259685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833319", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833319, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "GILTERITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833302", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEVITERONEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833302, "molecule_chembl_id": "CHEMBL3264610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.34", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SEVITERONEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832144", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832144, "molecule_chembl_id": "CHEMBL1232474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.69", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ECONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830615", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFABENZAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830615, "molecule_chembl_id": "CHEMBL1243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.32", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFABENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834944", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834944, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "acetylcysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828703", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOCAPRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828703, "molecule_chembl_id": "CHEMBL2110627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.62", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Temocapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829687", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829687, "molecule_chembl_id": "CHEMBL773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "75.07", "alogp": "-0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828261", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRIDINE LACTATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828261, "molecule_chembl_id": "CHEMBL582355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethacridine lactate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4974", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828095", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFTIFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828095, "molecule_chembl_id": "CHEMBL1200493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.87", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naftifine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834772", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "8.66 \u00b1 1.75", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MIBAMPATOR", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834772, "molecule_chembl_id": "CHEMBL1277001", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "438.62", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MIBAMPATOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8660.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830342", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830342, "molecule_chembl_id": "CHEMBL316069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.34", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-SER-082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831929", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831929, "molecule_chembl_id": "CHEMBL1179743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "654.74", "alogp": "6.60", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-161982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2sccc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828802", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828802, "molecule_chembl_id": "CHEMBL1653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pheniramine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827743", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827743, "molecule_chembl_id": "CHEMBL1705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.56", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clonidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828486", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLCARBAMAZINE CITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828486, "molecule_chembl_id": "CHEMBL937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833270", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833270, "molecule_chembl_id": "CHEMBL3186743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.42", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OSI-420 (DESMETHYL ERLOTINIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835002", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835002, "molecule_chembl_id": "CHEMBL1409793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chloroxoquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1769", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828308", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOCARBOXAZID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828308, "molecule_chembl_id": "CHEMBL1201168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.25", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isocarboxazid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.009023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NNCc2ccccc2)no1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828572", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESATENOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828572, "molecule_chembl_id": "CHEMBL343633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R,+) Atenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1033", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830627", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFTOPIDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830627, "molecule_chembl_id": "CHEMBL142635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFTOPIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833166", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833166, "molecule_chembl_id": "CHEMBL2386353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.32", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUG-770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828586", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTICASONE PROPIONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828586, "molecule_chembl_id": "CHEMBL1473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.58", "alogp": "4.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluticasone propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5757", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828644", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828644, "molecule_chembl_id": "CHEMBL4303344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.52", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Prosultiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSS/C(CCO)=C(\\C)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835163", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835163, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Troxipide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830460", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830460, "molecule_chembl_id": "CHEMBL322970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.73", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-415286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835026", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORTRIPTYLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835026, "molecule_chembl_id": "CHEMBL445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nortriptyline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835027", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTINOXATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835027, "molecule_chembl_id": "CHEMBL3183184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.40", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "octinoxate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830598", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPYL PALMITATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830598, "molecule_chembl_id": "CHEMBL139055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.51", "alogp": "6.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ISOPROPYL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828803", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PITAVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828803, "molecule_chembl_id": "CHEMBL1237061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "881.00", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pitavastatin calcium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830266", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830266, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SIMVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834973", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834973, "molecule_chembl_id": "CHEMBL64195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.66", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "beclamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1071", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830618", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830618, "molecule_chembl_id": "CHEMBL342375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.46", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XE-991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835376", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835376, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moclobemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830674", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830674, "molecule_chembl_id": "CHEMBL155333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.05", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KN-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828814", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILEUTON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828814, "molecule_chembl_id": "CHEMBL93", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zileuton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.00439", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828678", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828678, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clevidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2508", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835113", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRITIOZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835113, "molecule_chembl_id": "CHEMBL1414826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulmetozine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1798", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830596", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CX516", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830596, "molecule_chembl_id": "CHEMBL136800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMPALEX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2nccnc2c1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833501", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833501, "molecule_chembl_id": "CHEMBL3774960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.15", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WISKOSTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833504", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833504, "molecule_chembl_id": "CHEMBL3786182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2879552"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828291", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDARABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828291, "molecule_chembl_id": "CHEMBL1090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vidarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828295", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUAIFENESIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828295, "molecule_chembl_id": "CHEMBL980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guaifenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832999", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINDARIT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832999, "molecule_chembl_id": "CHEMBL2107549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BINDARIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828301", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828301, "molecule_chembl_id": "CHEMBL1684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bendroflumethiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828578", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDATRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828578, "molecule_chembl_id": "CHEMBL1256749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.67", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Indatraline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3261", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828653", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZARIBINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828653, "molecule_chembl_id": "CHEMBL515914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.30", "alogp": "-1.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Azaribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828657", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLOROPHEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828657, "molecule_chembl_id": "CHEMBL33845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dichlorophen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828998", "_score": 6.4420605, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828998, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830526", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAGUANIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830526, "molecule_chembl_id": "CHEMBL338802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835234", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPRAMIPEXOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835234, "molecule_chembl_id": "CHEMBL249420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dexpramipexole (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H]1CCc2nc(N)sc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830432", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMIDUCID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830432, "molecule_chembl_id": "CHEMBL269259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1411.65", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "RIMIDUCID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCNC(=O)COc2cccc([C@@H](CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC)c3cc(OC)c(OC)c(OC)c3)c2)c1)c1cc(OC)c(OC)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830434", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DODECANOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830434, "molecule_chembl_id": "CHEMBL108766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.32", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DODECANOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830435", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPARABEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830435, "molecule_chembl_id": "CHEMBL325372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLPARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835362", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835362, "molecule_chembl_id": "CHEMBL4303414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.16", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(S)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828009", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDAZOXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828009, "molecule_chembl_id": "CHEMBL543467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID56422421"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833317", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOTOLIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833317, "molecule_chembl_id": "CHEMBL3301618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.61", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MOTOLIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828508", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828508, "molecule_chembl_id": "CHEMBL75", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ketoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828623", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMEZINIUM METILSULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828623, "molecule_chembl_id": "CHEMBL2106667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.34", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amezinium metilsulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835455", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREPITANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835455, "molecule_chembl_id": "CHEMBL1471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Aprepitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830355", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830355, "molecule_chembl_id": "CHEMBL1113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOXAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828490", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEMETACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828490, "molecule_chembl_id": "CHEMBL189171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.83", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acemetacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835410", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBINAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835410, "molecule_chembl_id": "CHEMBL413965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Biphenylacetic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828470", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYOSCYAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828470, "molecule_chembl_id": "CHEMBL1331216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.37", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(L) Hyoscyamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833262", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833262, "molecule_chembl_id": "CHEMBL3185434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828484", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828484, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinnarizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833716", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLPERISONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833716, "molecule_chembl_id": "CHEMBL1395150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.83", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLPERISONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833693", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833693, "molecule_chembl_id": "CHEMBL1256667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.41", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-205384"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC(O)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833338", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833338, "molecule_chembl_id": "CHEMBL3334989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMEOB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833340", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833340, "molecule_chembl_id": "CHEMBL3335793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.51", "alogp": "2.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828648", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828648, "molecule_chembl_id": "CHEMBL1234757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acetyl-L-glutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828649", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUPLATAST TOSILATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828649, "molecule_chembl_id": "CHEMBL115435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.65", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suplatast Tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833695", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833695, "molecule_chembl_id": "CHEMBL1624767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.29", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMPS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-32.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CC(S)CS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833362", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833362, "molecule_chembl_id": "CHEMBL3353411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ5104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835666", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835666, "molecule_chembl_id": "CHEMBL4303237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.27", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-276"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CC(F)(F)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833615", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833615, "molecule_chembl_id": "CHEMBL4303176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.73", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOKU-81"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835152", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLONIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835152, "molecule_chembl_id": "CHEMBL304253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tolonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2301", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830455", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830455, "molecule_chembl_id": "CHEMBL112816", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.76", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-19220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830236", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACCHARIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830236, "molecule_chembl_id": "CHEMBL310671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.19", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SACCHARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NS(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830308", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RS-102,221", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830308, "molecule_chembl_id": "CHEMBL88402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.63", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-102221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835167", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.184996998,0.114351593)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALGANCICLOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835167, "molecule_chembl_id": "CHEMBL1201314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.37", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valganciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835172", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835172, "molecule_chembl_id": "CHEMBL4303517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.70", "alogp": "7.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Visomitin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828784", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828784, "molecule_chembl_id": "CHEMBL4303184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "737.82", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Alcuronium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N@@+]12CC[C@]34c5ccccc5N5/C=C6\\C7N(/C=C(\\C53)[C@@H](C[C@@H]41)/C(=C/CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\\CO)[C@@H]6C[C@@H]12.[Cl-].[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833492", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833492, "molecule_chembl_id": "CHEMBL3753077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834959", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834959, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835305", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIMERACIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835305, "molecule_chembl_id": "CHEMBL1730601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gimeracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1623", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c(Cl)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830259", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUTAECARPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830259, "molecule_chembl_id": "CHEMBL85139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.32", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RUTAECARPINE (RUTECARPINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828560", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828560, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830773", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830773, "molecule_chembl_id": "CHEMBL353335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.76", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-81297"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835477", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFACLOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835477, "molecule_chembl_id": "CHEMBL680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.81", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefaclor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3978", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830403", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CI-1040", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830403, "molecule_chembl_id": "CHEMBL105442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.66", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CI-1040 (PD184352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831602", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831602, "molecule_chembl_id": "CHEMBL1405894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.01", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINCOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831603", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERZINFOTEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831603, "molecule_chembl_id": "CHEMBL452461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.19", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PERZINFOTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2c(c1=O)N(CCP(=O)(O)O)CCCN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831809", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEISOINDIGO", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831809, "molecule_chembl_id": "CHEMBL607535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.30", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEISOINDIGO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838950", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M5", "pchembl_value": "4.55", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303777", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL2035", "activity_id": 18838950, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28183.83", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.40", "sei": "15.54", "bei": "16.11", "le": "0.30"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836324", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXABEPILONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836324, "molecule_chembl_id": "CHEMBL1201752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.71", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ixabepilone (BMS-247550)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838953", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838953, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "313.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831458", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAPRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831458, "molecule_chembl_id": "CHEMBL1592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUINAPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832011", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOCARBOXAZID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832011, "molecule_chembl_id": "CHEMBL1201168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.25", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOCARBOXAZID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NNCc2ccccc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836339", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836339, "molecule_chembl_id": "CHEMBL416956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.32", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831468", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHRADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831468, "molecule_chembl_id": "CHEMBL1604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFRADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836341", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836341, "molecule_chembl_id": "CHEMBL461522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.36", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metamizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831473", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUROFEXORATE ISOPROPYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831473, "molecule_chembl_id": "CHEMBL454138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.47", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TUROFEXORATE ISOPROPYL (XL335)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836349", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLATE MOFETIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836349, "molecule_chembl_id": "CHEMBL1456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate mofetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831538", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831538, "molecule_chembl_id": "CHEMBL481512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.63", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MCOPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836576", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.742183898,0.368346617)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836576, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957020", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUCYTOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957020, "molecule_chembl_id": "CHEMBL1463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "129.09", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUCYTOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1[nH]c(=O)ncc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957025", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOCODAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957025, "molecule_chembl_id": "CHEMBL9514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.33", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOCODAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831574", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORSOMORPHIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831574, "molecule_chembl_id": "CHEMBL478629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.50", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828827", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTYLENETETRAZOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828827, "molecule_chembl_id": "CHEMBL116943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.17", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pentylenetetrazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCc2nnnn2CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831585", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831585, "molecule_chembl_id": "CHEMBL519344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRABENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828912", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828912, "molecule_chembl_id": "CHEMBL4303454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.53", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Doripenem monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828913", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGENIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828913, "molecule_chembl_id": "CHEMBL273019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.27", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bergenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834782", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2.26 \u00b1 1.28", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834782, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2260.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828928", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828928, "molecule_chembl_id": "CHEMBL2356712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.01", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Barnidipine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1834", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828663", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFACETAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828663, "molecule_chembl_id": "CHEMBL2106951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phthalylsulfacetamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828664", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828664, "molecule_chembl_id": "CHEMBL1234172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cresopirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3414", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833003", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASQUINIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833003, "molecule_chembl_id": "CHEMBL2107784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASQUINIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833005", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALDOXORUBICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833005, "molecule_chembl_id": "CHEMBL2107818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "750.76", "alogp": "0.39", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "ALDOXORUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833299", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833299, "molecule_chembl_id": "CHEMBL3260990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.78", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESI-09"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cccc(Cl)c2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833306", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833306, "molecule_chembl_id": "CHEMBL3277499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.89", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYLDIMETHYLOCTYLAMMONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956988", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956988, "molecule_chembl_id": "CHEMBL4303508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-673451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961717", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREDNISOLONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961717, "molecule_chembl_id": "CHEMBL1152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961718", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961718, "molecule_chembl_id": "CHEMBL2005379", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diacetoxyscirpenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956929", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXISYLYTE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956929, "molecule_chembl_id": "CHEMBL159226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXISYLYTE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956755, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957424", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SGX-523", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957424, "molecule_chembl_id": "CHEMBL1236107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGX-523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962031", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962031, "molecule_chembl_id": "CHEMBL3991935", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P276-00"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.848", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962034", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASTAXANTHIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962034, "molecule_chembl_id": "CHEMBL1255871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "596.85", "alogp": "8.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "astaxanthin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962038", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOPHENPROPIT HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962038, "molecule_chembl_id": "CHEMBL1237146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "576.14", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iodophenpropit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.883", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.N=C(NCCc1ccc(I)cc1)SCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957442", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957442, "molecule_chembl_id": "CHEMBL566581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FITM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956765", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DABRAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956765, "molecule_chembl_id": "CHEMBL2028663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DABRAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956976", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALTIRELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956976, "molecule_chembl_id": "CHEMBL2107016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALTIRELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956944", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEOYLETHANOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956944, "molecule_chembl_id": "CHEMBL280065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.54", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEOYLETHANOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956897", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956897, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956903", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956903, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BARICITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961724", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRESATOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961724, "molecule_chembl_id": "CHEMBL3410450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.07", "alogp": "2.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Presatovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957132", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957132, "molecule_chembl_id": "CHEMBL1221601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.85", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGK 733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961736", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRELADENANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961736, "molecule_chembl_id": "CHEMBL240624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.57", "alogp": "2.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Preladenant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.582", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956943", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956943, "molecule_chembl_id": "CHEMBL1231132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.88", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956979", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDROTANSHINONE I", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956979, "molecule_chembl_id": "CHEMBL227075", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956669", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBETAPENTANE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956669, "molecule_chembl_id": "CHEMBL1256696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID46500452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956951", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956951, "molecule_chembl_id": "CHEMBL3338865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-3697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956953", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956953, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANISOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956849", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-9283", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956849, "molecule_chembl_id": "CHEMBL495727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.44", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT-9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961746", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DETROTHYRONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961746, "molecule_chembl_id": "CHEMBL557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LIOTHYRONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVIBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956750, "molecule_chembl_id": "CHEMBL1689063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.25", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AVIBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956727", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956727, "molecule_chembl_id": "CHEMBL4525708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.33", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR148672X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N/N=C(\\C(=O)c2cccs2)C(=O)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956729", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIVANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956729, "molecule_chembl_id": "CHEMBL377300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.38", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BRIVANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830692", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830692, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828795", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLAVOXATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828795, "molecule_chembl_id": "CHEMBL1200875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.93", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flavoxate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828389", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828389, "molecule_chembl_id": "CHEMBL4303265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "533.58", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cinepazide maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833095", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-593", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833095, "molecule_chembl_id": "CHEMBL2180604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.48", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TAK-593"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830642", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDATRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830642, "molecule_chembl_id": "CHEMBL1256749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.67", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDATRALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835483", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIBUTEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835483, "molecule_chembl_id": "CHEMBL1605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ceftibuten"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05059", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833369", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833369, "molecule_chembl_id": "CHEMBL3360305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-HSP990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828383", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOBUZOXANE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828383, "molecule_chembl_id": "CHEMBL1256871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.53", "alogp": "-0.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sobuzoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828385", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR PHOSPHATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828385, "molecule_chembl_id": "CHEMBL1200340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oseltamivir phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831526", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVISOPRENALINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831526, "molecule_chembl_id": "CHEMBL460574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOPROTERENOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835449", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835449, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830565", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830565, "molecule_chembl_id": "CHEMBL131171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.57", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RP67580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1CC(=N)N1C[C@@H]2C(=O)CCC(c3ccccc3)(c3ccccc3)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828559", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEPROMAZINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828559, "molecule_chembl_id": "CHEMBL1883146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.54", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID93576613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828507", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETAPENTANE CITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828507, "molecule_chembl_id": "CHEMBL1256696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbetapentane citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828817", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828817, "molecule_chembl_id": "CHEMBL221753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.09", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benzethonium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833525", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833525, "molecule_chembl_id": "CHEMBL3906257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001 (RG-6016) 2HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838659", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE/INCONCLUSIVE MAY MAKE WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838659, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1Rcat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "280.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831806", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831806, "molecule_chembl_id": "CHEMBL593013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.57", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BINA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835885", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.219731851,0.080207687)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARIFENACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835885, "molecule_chembl_id": "CHEMBL1346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Darifenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830918", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NECROSTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830918, "molecule_chembl_id": "CHEMBL195008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECROSTATIN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835895", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESERPIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835895, "molecule_chembl_id": "CHEMBL1200515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.66", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "deserpidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0138", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835997", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOCAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835997, "molecule_chembl_id": "CHEMBL2110627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.62", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Temocapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08409", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836580", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.225414345,-0.009837224)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836580, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dimethyl fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1078", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830881", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-680632", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830881, "molecule_chembl_id": "CHEMBL363160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.64", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHA-680632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830914", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830914, "molecule_chembl_id": "CHEMBL540356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.30", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIFITHRIN-CYCLIC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957035", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAVIRDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957035, "molecule_chembl_id": "CHEMBL593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DELAVIRDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957147", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957147, "molecule_chembl_id": "CHEMBL180672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.93", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPS-2143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957045", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957045, "molecule_chembl_id": "CHEMBL400814", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.63", "alogp": "3.96", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JMV 2959"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956712", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANESPIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956712, "molecule_chembl_id": "CHEMBL109480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "585.70", "alogp": "2.54", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TANESPIMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961744", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETRIZOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961744, "molecule_chembl_id": "CHEMBL1201327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.86", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acetrizoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.712", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962777", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962777, "molecule_chembl_id": "CHEMBL1616372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.73", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACDPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958494, "molecule_chembl_id": "CHEMBL4514279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.77", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CARBENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C5CCC43C)C2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958508, "molecule_chembl_id": "CHEMBL44674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.29", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxotremorine-M"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC#CCN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963193", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963193, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962409", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962409, "molecule_chembl_id": "CHEMBL1324296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.31", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957811", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957811, "molecule_chembl_id": "CHEMBL473967", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.48", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T863"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961977", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUPIRTINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961977, "molecule_chembl_id": "CHEMBL1256752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.40", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flupirtine (Maleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957606", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957606, "molecule_chembl_id": "CHEMBL4072005", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962226", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962226, "molecule_chembl_id": "CHEMBL307639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMPX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.682", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957630", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957630, "molecule_chembl_id": "CHEMBL3633720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.79", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-63533054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962239", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABT 737", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962239, "molecule_chembl_id": "CHEMBL376408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "813.45", "alogp": "7.88", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ABT-737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961734", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961734, "molecule_chembl_id": "CHEMBL1689", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(CC2=NCCN2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956663", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956663, "molecule_chembl_id": "CHEMBL4068509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.47", "alogp": "3.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PRN1371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961747", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALACYCLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961747, "molecule_chembl_id": "CHEMBL1201110", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.80", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALACYCLOVIR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.848", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956670", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXYLRESORCINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956670, "molecule_chembl_id": "CHEMBL443605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.27", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HEXYLRESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956859", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEGLUTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956859, "molecule_chembl_id": "CHEMBL50444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.14", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEGLUTOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956676", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956676, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956682", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956682, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956688", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956688, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956692", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GRAPIPRANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956692, "molecule_chembl_id": "CHEMBL3039498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.62", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GRAPIPRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956998", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956998, "molecule_chembl_id": "CHEMBL3417704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "850.05", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "A-1210477"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(-)-EPICATECHIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957009, "molecule_chembl_id": "CHEMBL583912", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "epicatechin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957011", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957011, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-AZAGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957016", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957016, "molecule_chembl_id": "CHEMBL375312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK429286A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962027", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMUSTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962027, "molecule_chembl_id": "CHEMBL514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.70", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=NN(CCCl)C(=O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957439", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDICOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957439, "molecule_chembl_id": "CHEMBL3674570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "JNJ-40346527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956759", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956759, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961713", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961713, "molecule_chembl_id": "CHEMBL140000", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957113", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957113, "molecule_chembl_id": "CHEMBL406821", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.43", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K00003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962786", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962786, "molecule_chembl_id": "CHEMBL444963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "813.98", "alogp": "2.77", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Midecamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958475", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-CHOLESTEN 3-ONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958475, "molecule_chembl_id": "CHEMBL63243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cholestenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962811", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962811, "molecule_chembl_id": "CHEMBL286136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.80", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-10302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957820", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957820, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Verapamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957822", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957822, "molecule_chembl_id": "CHEMBL494480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADL5859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958674", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958674, "molecule_chembl_id": "CHEMBL4303560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "CHLOROPHYLLIDE Cu COMPLEX Na SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962925", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEVITERONEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962925, "molecule_chembl_id": "CHEMBL3264610", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.34", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Seviteronel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957617", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMOSETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957617, "molecule_chembl_id": "CHEMBL1643895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ramosetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958186", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958186, "molecule_chembl_id": "CHEMBL40833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "108.14", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-amino-4-methylpyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958187", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENAMIC ACID ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958187, "molecule_chembl_id": "CHEMBL23832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "FENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963086", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALIPEXOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963086, "molecule_chembl_id": "CHEMBL1504869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Talipexole dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2nc(N)sc2CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958392", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958392, "molecule_chembl_id": "CHEMBL4591234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.50", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THDOC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963311", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TESMILIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963311, "molecule_chembl_id": "CHEMBL26424", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.41", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DPPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(Cc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957619", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957619, "molecule_chembl_id": "CHEMBL3182647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.51", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBRUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957620", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957620, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MOZAVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957642", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENCENICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957642, "molecule_chembl_id": "CHEMBL2151572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.85", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ENCENICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963700", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIOTHYRONINE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963700, "molecule_chembl_id": "CHEMBL1201119", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "672.96", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIOTHYRONINE (L- isomer) SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964420", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964420, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964128", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCORTISONE BUTYRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964128, "molecule_chembl_id": "CHEMBL1683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.56", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE BUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964131", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTAZOLINE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964131, "molecule_chembl_id": "CHEMBL1200550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.35", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTAZOLINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964222", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.72", "bao_label": "assay format", "molecule_pref_name": "PHENACYL CHLORIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964222, "molecule_chembl_id": "CHEMBL105712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.60", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENACYL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "190.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCl)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960477", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960477, "molecule_chembl_id": "CHEMBL160723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.38", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NIDA-41020"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.456", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964237", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.47", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964237, "molecule_chembl_id": "CHEMBL4303154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.52", "alogp": "-0.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Oleuropein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3380.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959551", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959551, "molecule_chembl_id": "CHEMBL96074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.78", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzotript"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964239", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.68", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964239, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959553", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959553, "molecule_chembl_id": "CHEMBL3039407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.97", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Halcinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@]2(C(=O)CCl)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959636", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DECERNOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959636, "molecule_chembl_id": "CHEMBL3039513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.39", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Decernotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959144", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959144, "molecule_chembl_id": "CHEMBL1221601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.85", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963749", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963749, "molecule_chembl_id": "CHEMBL508094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-1101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](C)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959149", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEBRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959149, "molecule_chembl_id": "CHEMBL2104682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.27", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nebracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CC(=O)N(Cc2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963757", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963757, "molecule_chembl_id": "CHEMBL332898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.81", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MY-5445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963760", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMORFAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963760, "molecule_chembl_id": "CHEMBL2103954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "emorfazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.752", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c(N2CCOCC2)cnn(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959156", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959156, "molecule_chembl_id": "CHEMBL1232474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.69", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ECONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963920", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963920, "molecule_chembl_id": "CHEMBL3798846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.60", "alogp": "3.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OICR-9429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959773", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PANOBINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959773, "molecule_chembl_id": "CHEMBL483254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Panobinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959774", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959774, "molecule_chembl_id": "CHEMBL4303279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.08", "alogp": "6.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1-R"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959777", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAPASTINEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959777, "molecule_chembl_id": "CHEMBL3544917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Rapastinel Trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963931, "molecule_chembl_id": "CHEMBL2029422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.60", "alogp": "3.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-4136309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963803", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963803, "molecule_chembl_id": "CHEMBL3414574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EI1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.354", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963913", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALTIRELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963913, "molecule_chembl_id": "CHEMBL2107016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taltirelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959310", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959310, "molecule_chembl_id": "CHEMBL314612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD-53998"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)SC4C)ccc32)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963916", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUIZARTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963916, "molecule_chembl_id": "CHEMBL576982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.68", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Quizartinib (AC220)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.105", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959312", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIMATEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959312, "molecule_chembl_id": "CHEMBL1374751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.29", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cimaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.684", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(N)c(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964000", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964000, "molecule_chembl_id": "CHEMBL46909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.35", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959397", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPRAZINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959397, "molecule_chembl_id": "CHEMBL1885437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eprazinone 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964082", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEPOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964082, "molecule_chembl_id": "CHEMBL3402762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.58", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tepotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964083", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUPATADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964083, "molecule_chembl_id": "CHEMBL91397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.97", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rupatadine Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964409", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964409, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959356", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959356, "molecule_chembl_id": "CHEMBL2333944", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.43", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DQP-1105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959678", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIMETROPIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959678, "molecule_chembl_id": "CHEMBL2110773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cimetropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1272", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963962", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963962, "molecule_chembl_id": "CHEMBL2348501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.82", "alogp": "4.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-657510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.931", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964416", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964416, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964299", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.70", "bao_label": "assay format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964299, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "baicalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959693", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHLOROGLUCINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959693, "molecule_chembl_id": "CHEMBL473159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phloroglucin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963750, "molecule_chembl_id": "CHEMBL2017620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.44", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK2-IN-1 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963727", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPHA-KETOGLUTARIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963727, "molecule_chembl_id": "CHEMBL1686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.10", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-oxoglutaric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959129, "molecule_chembl_id": "CHEMBL192359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.83", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-7954-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959130", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959130, "molecule_chembl_id": "CHEMBL1526024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.32", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Faropenem sodium hemipentahydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959132", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959132, "molecule_chembl_id": "CHEMBL1740879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.36", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "scopolamine-n-oxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964037", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYLDIMETHYLPIPERAZINIUM IODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964037, "molecule_chembl_id": "CHEMBL1785001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.14", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-acetyl-1;1-dimethylpiperazinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CC[N+](C)(C)CC1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963829", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOSEDOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963829, "molecule_chembl_id": "CHEMBL2103847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tosedostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.612", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963117", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETRORELIX ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963117, "molecule_chembl_id": "CHEMBL2103735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1491.12", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cetrorelix (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.266", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963498", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIZOFENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963498, "molecule_chembl_id": "CHEMBL2106822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.88", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nizofenone fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959613", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959613, "molecule_chembl_id": "CHEMBL3188205", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "908.89", "alogp": "-8.90", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NEOMYCIN TRISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963720", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963720, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04081", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959121", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959121, "molecule_chembl_id": "CHEMBL543557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.91", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-89976A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151795", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151795, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NISOLDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151867", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151867, "molecule_chembl_id": "CHEMBL2013195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119709"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147123", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147123, "molecule_chembl_id": "CHEMBL23236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.73", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Betulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151630", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151630, "molecule_chembl_id": "CHEMBL4525708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.33", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR148672X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N/N=C(\\C(=O)c2cccs2)C(=O)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151643", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151643, "molecule_chembl_id": "CHEMBL369225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.52", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147265", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXSALEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147265, "molecule_chembl_id": "CHEMBL416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2cc2ccc(=O)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147072", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147072, "molecule_chembl_id": "CHEMBL130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.13", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMPHENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151378", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151378, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Fluorouracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151848", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151848, "molecule_chembl_id": "CHEMBL75232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.91", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "vatalanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151489", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REVERSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151489, "molecule_chembl_id": "CHEMBL188343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.50", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Reversine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147528", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147528, "molecule_chembl_id": "CHEMBL1972466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TGX-221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146932", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146932, "molecule_chembl_id": "CHEMBL3922179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-5442"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146939", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146939, "molecule_chembl_id": "CHEMBL3039443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEPHRADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)C2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147331", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANCICLOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147331, "molecule_chembl_id": "CHEMBL182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GANCICLOVIR HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COC(CO)CO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146972", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLASTATIN-10", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146972, "molecule_chembl_id": "CHEMBL39541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.11", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Dolastin-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151572", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151572, "molecule_chembl_id": "CHEMBL52030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.37", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-655,708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151759", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINNAMALDEHYDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151759, "molecule_chembl_id": "CHEMBL293492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinnamaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C/C=C/c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146871", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOREPINEPHRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146871, "molecule_chembl_id": "CHEMBL1437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.18", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NOREPINEPHRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146870", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACEPINEPHRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146870, "molecule_chembl_id": "CHEMBL1740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957317", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957317, "molecule_chembl_id": "CHEMBL4576512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.46", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ipratropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N@+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957240", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILDENAFIL CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957240, "molecule_chembl_id": "CHEMBL1737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "666.71", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILDENAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957242", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPRANOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957242, "molecule_chembl_id": "CHEMBL27", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXPROPRANOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961829", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961829, "molecule_chembl_id": "CHEMBL1436386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-298198-desmethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961909", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961909, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961910", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMMETHRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961910, "molecule_chembl_id": "CHEMBL82298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "159.19", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "immethridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(Cc2cnc[nH]2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957250", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INGENOL MEBUTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957250, "molecule_chembl_id": "CHEMBL1863513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INGENOL MEBUTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961784", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROGENIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961784, "molecule_chembl_id": "CHEMBL284616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.31", "alogp": "-0.65", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Chlorogenic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957185", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-1480", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957185, "molecule_chembl_id": "CHEMBL1231124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.77", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD-1480"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961788", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSORBIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961788, "molecule_chembl_id": "CHEMBL1200660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isosorbide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835290", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSPHENYTOIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835290, "molecule_chembl_id": "CHEMBL1201336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.28", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fosphenytoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01075", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835044", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835044, "molecule_chembl_id": "CHEMBL2419490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.55", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pentostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835239", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLCARBAMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835239, "molecule_chembl_id": "CHEMBL684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.30", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diethylcarbamazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06731", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961978", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961978, "molecule_chembl_id": "CHEMBL20489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guanidinopropionic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961689", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAGUANIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961689, "molecule_chembl_id": "CHEMBL338802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962321", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962321, "molecule_chembl_id": "CHEMBL1234172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRESOPIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957816", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957816, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961698, "molecule_chembl_id": "CHEMBL576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "118.09", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "succinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957152", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEROTONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957152, "molecule_chembl_id": "CHEMBL39", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.22", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEROTONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961753", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPLOSALSALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961753, "molecule_chembl_id": "CHEMBL350343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acetylsalicylsalicylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961759", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961759, "molecule_chembl_id": "CHEMBL3086524", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.22", "alogp": "-2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5;6-dihydro-5-aza-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961763", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAFESTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961763, "molecule_chembl_id": "CHEMBL1407645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cafestol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.542", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957165", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957165, "molecule_chembl_id": "CHEMBL101690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY334370"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957171", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROFLUMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957171, "molecule_chembl_id": "CHEMBL193240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.21", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROFLUMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CATHARANTHINE BASE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151698, "molecule_chembl_id": "CHEMBL2163793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.44", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Catharanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151773", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETEPRINIM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151773, "molecule_chembl_id": "CHEMBL2104345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.30", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "leteprinim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151561", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPATASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151561, "molecule_chembl_id": "CHEMBL2177390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.01", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "IPATASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151762", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151762, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151621", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151621, "molecule_chembl_id": "CHEMBL1334465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.38", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-408124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152029", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINDARIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152029, "molecule_chembl_id": "CHEMBL2107549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bindarit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152044", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152044, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151566", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151566, "molecule_chembl_id": "CHEMBL59898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-102807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146931, "molecule_chembl_id": "CHEMBL3960662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.57", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD0156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146934", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146934, "molecule_chembl_id": "CHEMBL108821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.82", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sitafloxacin hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146942", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146942, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Podofilox\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830733", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-DAMP", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830733, "molecule_chembl_id": "CHEMBL76897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830742", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830742, "molecule_chembl_id": "CHEMBL168972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.43", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-95639A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148793", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148793, "molecule_chembl_id": "CHEMBL64239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SQ-22536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1CCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147463", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESCITALOPRAM OXALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147463, "molecule_chembl_id": "CHEMBL1200322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESCITALOPRAM OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838681", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APICIDIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838681, "molecule_chembl_id": "CHEMBL430060", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "623.80", "alogp": "3.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Apicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.15", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958318", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958318, "molecule_chembl_id": "CHEMBL156406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylhydantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831802", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-306465", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831802, "molecule_chembl_id": "CHEMBL609583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.46", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R306465"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831020", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANCICLOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831020, "molecule_chembl_id": "CHEMBL182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GANCICLOVIR HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COC(CO)CO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832041", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACAMPROSATE CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832041, "molecule_chembl_id": "CHEMBL2068724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "-0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACAMPROSATE CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836495", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTACAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836495, "molecule_chembl_id": "CHEMBL129529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836450", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836450, "molecule_chembl_id": "CHEMBL388751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.64", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorphenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833533", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833533, "molecule_chembl_id": "CHEMBL3932957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KG-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836530", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836530, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839055", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839055, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valproic Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "299.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827408", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827408, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Dihydrochloride Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832998", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832998, "molecule_chembl_id": "CHEMBL2139257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.90", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITOPRIDE  HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829990", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTRIAXONE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829990, "molecule_chembl_id": "CHEMBL3183968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "652.60", "alogp": "-1.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFTRIAXONE SODIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835279", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXOFENADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835279, "molecule_chembl_id": "CHEMBL914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.67", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "fexofenadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830304", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830304, "molecule_chembl_id": "CHEMBL90882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-CMDO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828471", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828471, "molecule_chembl_id": "CHEMBL1603820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "677.62", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Dilazep dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833178", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833178, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CERITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "59.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828531", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828531, "molecule_chembl_id": "CHEMBL359744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Doxorubicin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828533", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828533, "molecule_chembl_id": "CHEMBL1200961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.32", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brompheniramine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3833", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833239", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833239, "molecule_chembl_id": "CHEMBL3133807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.45", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROMOSPORINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828538", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828538, "molecule_chembl_id": "CHEMBL4303375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1253.53", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Colistin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0365", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828540", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIBUTRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828540, "molecule_chembl_id": "CHEMBL1200765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.32", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sibutramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828541", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPERIDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828541, "molecule_chembl_id": "CHEMBL28218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromoperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8959", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833246", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833246, "molecule_chembl_id": "CHEMBL3137744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "-2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIBITOL (ADONITOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833247", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833247, "molecule_chembl_id": "CHEMBL3182200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-OLEOYLGLYCEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828514", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIOTIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828514, "molecule_chembl_id": "CHEMBL857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.32", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Biotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02245", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828519", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFANILAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828519, "molecule_chembl_id": "CHEMBL21", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfanilamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1687", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833223", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833223, "molecule_chembl_id": "CHEMBL3094448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.33", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7004"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc2cc(C(=O)Nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833603", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEPEFRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833603, "molecule_chembl_id": "CHEMBL2105064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GEPEFRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833610", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833610, "molecule_chembl_id": "CHEMBL4303480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.71", "alogp": "2.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LAPPACONITE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828374", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMONABANT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828374, "molecule_chembl_id": "CHEMBL111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.80", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Rimonabant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0008168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834777", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "20.86 \u00b1 29.46", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834777, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AVATROMBOPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20860.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828914", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828914, "molecule_chembl_id": "CHEMBL3185966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.01", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Arotinolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.007728", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831633, "molecule_chembl_id": "CHEMBL477121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMD-3465"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838660", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE MAY MAKE WORSE?", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838660, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1Rcat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "298.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831729", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAPRILAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831729, "molecule_chembl_id": "CHEMBL1733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.47", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINAPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828553", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTAMIDINE ISETHIONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828553, "molecule_chembl_id": "CHEMBL361506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "592.69", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentamidine isethionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833257", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833257, "molecule_chembl_id": "CHEMBL3184512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.97", "alogp": "0.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLINDAMYCIN PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833534", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERABELISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833534, "molecule_chembl_id": "CHEMBL3935857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.38", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SERABELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830575", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINFLUMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830575, "molecule_chembl_id": "CHEMBL132663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.23", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINFLUMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(F)c1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828469", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETODOLAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828469, "molecule_chembl_id": "CHEMBL622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etodolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828584", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIQUIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828584, "molecule_chembl_id": "CHEMBL383634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.64", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gliquidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833181", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833181, "molecule_chembl_id": "CHEMBL2408776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.05", "alogp": "6.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KB-SRC-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2cccc(-c3ccccc3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830684", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTIAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830684, "molecule_chembl_id": "CHEMBL1200589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.10", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOTIAM (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833216", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833216, "molecule_chembl_id": "CHEMBL3084652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.50", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JHW-007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828517", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXESTROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828517, "molecule_chembl_id": "CHEMBL6615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hexestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828520", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORANTEL TARTRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828520, "molecule_chembl_id": "CHEMBL1445794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morantel tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.007993", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1/C=C/C1=NCCCN1C.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833595", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833595, "molecule_chembl_id": "CHEMBL297800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.17", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOLEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828893", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828893, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "reserpine(5)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5543", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833602", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833602, "molecule_chembl_id": "CHEMBL4303551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "BISMUTH SUBCITRATE POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828915", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828915, "molecule_chembl_id": "CHEMBL25164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Artenimol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.039", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828918", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCOTIAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828918, "molecule_chembl_id": "CHEMBL2106586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.36", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cycotiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C1\\CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828280", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOPROFEN CALCIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828280, "molecule_chembl_id": "CHEMBL2103736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.64", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenoprofen calcium salt dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833630", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXALACTAM DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833630, "molecule_chembl_id": "CHEMBL1200357", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.44", "alogp": "-1.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MOXALACTAM DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829895", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL P-TOLUENESULFONYL-L-ARGININATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829895, "molecule_chembl_id": "CHEMBL44752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.42", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835115", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMATRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835115, "molecule_chembl_id": "CHEMBL128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.41", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sumatriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833494, "molecule_chembl_id": "CHEMBL3752911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835302", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835302, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "gestodene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1957", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828805", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828805, "molecule_chembl_id": "CHEMBL1200355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rimantadine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6754", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830268", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEVANTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830268, "molecule_chembl_id": "CHEMBL2106060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.90", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEVANTOLOL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834669", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834669, "molecule_chembl_id": "CHEMBL1976486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.33", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC319726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=S)N1CCC1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833072", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APROCITENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833072, "molecule_chembl_id": "CHEMBL2165326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.20", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "APROCITENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835045", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACEMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835045, "molecule_chembl_id": "CHEMBL918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenacemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NC(=O)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835388", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835388, "molecule_chembl_id": "CHEMBL3581907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.31", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nicotianamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1041", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830744", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITECAPONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830744, "molecule_chembl_id": "CHEMBL167055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITECAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835415", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYQUINOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835415, "molecule_chembl_id": "CHEMBL310555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-Hydroxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1471", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cccnc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835342", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCETIRIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835342, "molecule_chembl_id": "CHEMBL1201191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levocetirizine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833343", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-40411813", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833343, "molecule_chembl_id": "CHEMBL3337527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.89", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-40411813"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835657", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURALTADONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835657, "molecule_chembl_id": "CHEMBL1189513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.29", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "furaltadone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1983", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830665", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETAZOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830665, "molecule_chembl_id": "CHEMBL1256671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.80", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETAZOLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836555", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.388736093,0.24611012)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIQUIMOD", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836555, "molecule_chembl_id": "CHEMBL1282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imiquimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830431", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830431, "molecule_chembl_id": "CHEMBL106092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.66", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SDZ-NKT-343"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835227", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835227, "molecule_chembl_id": "CHEMBL1201216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.46", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dapiprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833374", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833374, "molecule_chembl_id": "CHEMBL3392845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.52", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGI-6780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830781", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALACYCLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830781, "molecule_chembl_id": "CHEMBL1201110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.80", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALACYCLOVIR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838869", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST ASSAY INCONCLUSIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838869, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PKC_412"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2848", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829688", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829688, "molecule_chembl_id": "CHEMBL149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.51", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NALTRINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829442", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829442, "molecule_chembl_id": "CHEMBL19231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AEG3482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1nn2cc(-c3ccccc3)nc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839064", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303778", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839064, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC90 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line by measuring infectious viral titer of supernatent from compound-treated Vero E6 cells by Median Tissue Culture Infectious Dose (TCID)50 by the method of Reed and Muench", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833536, "molecule_chembl_id": "CHEMBL3940387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.62", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2857785"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828837", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFUZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828837, "molecule_chembl_id": "CHEMBL1723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alfuzosin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6886", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834524", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NSI-189", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834524, "molecule_chembl_id": "CHEMBL4302505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.51", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NSI-189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834986", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIMONIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834986, "molecule_chembl_id": "CHEMBL844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.14", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brimonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1067", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833541", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833541, "molecule_chembl_id": "CHEMBL3991935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P276-00"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831928", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPROLIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831928, "molecule_chembl_id": "CHEMBL97350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.79", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPROLIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830487", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEQUALINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830487, "molecule_chembl_id": "CHEMBL121663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.58", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEQUALINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827228", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827228, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BDBM193418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829271", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOPYRAMIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829271, "molecule_chembl_id": "CHEMBL1201020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISOPYRAMIDE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833974", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833974, "molecule_chembl_id": "CHEMBL3039328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "583.60", "alogp": "-7.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIHYDROSTREPTOMYCIN SESQUISULFATE [5MM/10% AQ DMSO]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C(OC2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)OC(C)[C@]2(O)CO)OC(CO)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833978", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833978, "molecule_chembl_id": "CHEMBL4303335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.16", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-405020"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829808", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829808, "molecule_chembl_id": "CHEMBL39221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,5-DHPG-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831182", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAURINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831182, "molecule_chembl_id": "CHEMBL239243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.15", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAURINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828853", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828853, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Edaravone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838960", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838960, "molecule_chembl_id": "CHEMBL4109308", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "433.90", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "218.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829724", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829724, "molecule_chembl_id": "CHEMBL32813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.17", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-PYRIDYLETHYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829422", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829422, "molecule_chembl_id": "CHEMBL1315073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUIPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O.c1ccc2nc(N3CCNCC3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829263", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829263, "molecule_chembl_id": "CHEMBL1092473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.87", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RANITIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C\\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834514", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834514, "molecule_chembl_id": "CHEMBL4303655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.37", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APCK-110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(-c2ccc3c(-c4ccc(F)cc4)n[nH]c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833455", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833455, "molecule_chembl_id": "CHEMBL3605456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838701", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838701, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831756", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTEMETHER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831756, "molecule_chembl_id": "CHEMBL566534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARTEMETHER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832117", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832117, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CX-4945 (SILMITASERTIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830492", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830492, "molecule_chembl_id": "CHEMBL333133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.20", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-PHENOXYPYRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829275", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829275, "molecule_chembl_id": "CHEMBL1428564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.47", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829276", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHOSTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829276, "molecule_chembl_id": "CHEMBL99", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TSA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C/C(=O)NO)=C\\[C@@H](C)C(=O)c1ccc(N(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833980", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833980, "molecule_chembl_id": "CHEMBL1096842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.48", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRANIDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829281", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DL-PENICILLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829281, "molecule_chembl_id": "CHEMBL13239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.21", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENICILLAMINE ETHANOLAMINE SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835281", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLAVOXATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835281, "molecule_chembl_id": "CHEMBL1493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.47", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flavoxate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1693", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831944", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURALTADONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831944, "molecule_chembl_id": "CHEMBL1189513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.29", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FURALTADONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827242", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827242, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hexachlorophene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19300.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833562", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833562, "molecule_chembl_id": "CHEMBL4060033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.27", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHP099 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829249", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829249, "molecule_chembl_id": "CHEMBL12221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.16", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-ETHYL-2-PYRROLIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959131", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959131, "molecule_chembl_id": "CHEMBL3589649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenprocoumon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963284", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963284, "molecule_chembl_id": "CHEMBL1334895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.30", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-10-5824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964401", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964401, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlexanox\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959527", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOPAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959527, "molecule_chembl_id": "CHEMBL1361347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.85", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clopamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.091", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964200", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.68", "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964200, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964151", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFAZOLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964151, "molecule_chembl_id": "CHEMBL1200523", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.50", "alogp": "-0.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAZOLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.834", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964163, "molecule_chembl_id": "CHEMBL4303705", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "648.80", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "chromanol-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O.CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964149", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964149, "molecule_chembl_id": "CHEMBL515916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.50", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANT-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964142", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964142, "molecule_chembl_id": "CHEMBL2430359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "665.68", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-00562271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.612", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964243", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.95", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964243, "molecule_chembl_id": "CHEMBL271023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.27", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-106-9920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1120.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][S+](c1ccccc1)c1ccc2nnnn2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959663", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959663, "molecule_chembl_id": "CHEMBL1530633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PINDOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DITIOCARB SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830062, "molecule_chembl_id": "CHEMBL107217", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.27", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DITIOCARB-SODIUM-TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)[S-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829253", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829253, "molecule_chembl_id": "CHEMBL268490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ALPHA-METHYLHISTAMINE-DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833954", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMATEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833954, "molecule_chembl_id": "CHEMBL1374751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.29", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIMATEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(N)c(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834705", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "3.28 \u00b1 2.04", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.48", "bao_label": "organism-based format", "molecule_pref_name": "MIBAMPATOR", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834705, "molecule_chembl_id": "CHEMBL1277001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.62", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MIBAMPATOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3280.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834706", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "3.93 \u00b1 1.76", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": "AVASIMIBE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834706, "molecule_chembl_id": "CHEMBL101309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.73", "alogp": "7.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVASIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3930.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834805", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834805, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829261", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829261, "molecule_chembl_id": "CHEMBL269646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.43", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=C(\\NC#N)NCCSCc1csc(N=C(N)N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834510", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834510, "molecule_chembl_id": "CHEMBL4303333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.78", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MJ-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836105", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENBUTONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836105, "molecule_chembl_id": "CHEMBL1972268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.27", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Menbutone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04313", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CCC(=O)O)c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830885", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830885, "molecule_chembl_id": "CHEMBL192509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.39", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DY131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830968", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTANOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830968, "molecule_chembl_id": "CHEMBL210952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLOPREGNANOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831172", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831172, "molecule_chembl_id": "CHEMBL237645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.72", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-HDAC6-20B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839050", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839050, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tomivosertib (eFT-508)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "245.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831905", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSE BENGAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831905, "molecule_chembl_id": "CHEMBL1160160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "973.67", "alogp": "8.70", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ROSE-BENGAL-LACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834081", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834081, "molecule_chembl_id": "CHEMBL1620698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.21", "alogp": "-0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARNITINE (DL) HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963491", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRARUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963491, "molecule_chembl_id": "CHEMBL2354444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "627.64", "alogp": "1.55", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Pirarubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963290", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILDENAFIL CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963290, "molecule_chembl_id": "CHEMBL1737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "666.71", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILDENAFIL CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963192", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEQUALINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963192, "molecule_chembl_id": "CHEMBL121663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.58", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEQUALINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.191", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829226", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOCLOPRAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829226, "molecule_chembl_id": "CHEMBL1200940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.28", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOCLOPRAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829228", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829228, "molecule_chembl_id": "CHEMBL415247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.64", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JDTIC (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831977", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL DIPHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831977, "molecule_chembl_id": "CHEMBL1200598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.31", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "3-HEXENE-3,4-DIYLBIS(4,1-PHENYLENE)BIS[DIHYDROGEN (PHOSPHATE)]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838937", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK ACTIVITY/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838937, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "274.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831987", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORELGESTROMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831987, "molecule_chembl_id": "CHEMBL1200807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.47", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTIMATE METABOLITE NORELGESTROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838941", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "8.70", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838941, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.995", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "4.55", "sei": "29.72", "bei": "30.81", "le": "0.57"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832676", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832676, "molecule_chembl_id": "CHEMBL1765704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.49", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHA-68"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831763", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831763, "molecule_chembl_id": "CHEMBL584991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.64", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO5L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838707", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838707, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.986", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831848", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-2206", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831848, "molecule_chembl_id": "CHEMBL1079175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2206 DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838798", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838798, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-52862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "249.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838799", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838799, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-52862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.118", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831853", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMELOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831853, "molecule_chembl_id": "CHEMBL1078178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOMELOTINIB (CYT387)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838804", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838804, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "266.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838809", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838809, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827604", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYPHYLLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827604, "molecule_chembl_id": "CHEMBL1752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "-2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diprophylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02166", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832309", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITRAZ", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832309, "molecule_chembl_id": "CHEMBL1365675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMITRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831869", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPICAPONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831869, "molecule_chembl_id": "CHEMBL1089318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.17", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OPICAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832318", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICERGOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832318, "molecule_chembl_id": "CHEMBL1372950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICERGOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827616", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPHAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827616, "molecule_chembl_id": "CHEMBL1706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naphazoline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01362", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838823", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "6.90", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838823, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "125.89", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "3.12", "sei": "14.26", "bei": "20.54", "le": "0.41"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827170", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.80", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827170, "molecule_chembl_id": "CHEMBL483243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.79", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-(3-Chlorostyryl)caffeine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1600.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C2C(N=C(/C=C/c3cccc(Cl)c3)N2C)N(C)C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832824", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832824, "molecule_chembl_id": "CHEMBL2022156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFRONYL OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832701", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832701, "molecule_chembl_id": "CHEMBL1813048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.52", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-N-1752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832812", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832812, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IVACAFTOR (VX-770)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828206", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828206, "molecule_chembl_id": "CHEMBL2359165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.03", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benidipine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832410", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832410, "molecule_chembl_id": "CHEMBL1459962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCCCC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827530", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DL-PENICILLAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827530, "molecule_chembl_id": "CHEMBL13239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.21", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D,L-Penicillamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832581", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832581, "molecule_chembl_id": "CHEMBL1590144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIRACIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-33.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832239", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLBENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832239, "molecule_chembl_id": "CHEMBL1321398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.12", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Methyl benzethonium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827536", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827536, "molecule_chembl_id": "CHEMBL1201150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sumatriptan succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832241", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832241, "molecule_chembl_id": "CHEMBL1315939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETODOLAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827538", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827538, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazobactam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827697", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRONIAZID PHOSPHATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827697, "molecule_chembl_id": "CHEMBL1256361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Iproniazide phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02671", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832403", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832403, "molecule_chembl_id": "CHEMBL1453457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALSOLINOL-1-CARBOXYLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)O)NCCc2cc(O)c(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827705", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOLINIUM TARTRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827705, "molecule_chembl_id": "CHEMBL1318287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.59", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentolinium bitartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827554", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIHEXYPHENIDYL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827554, "molecule_chembl_id": "CHEMBL1092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.94", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trihexyphenidyl-D,L hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827557", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLBENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827557, "molecule_chembl_id": "CHEMBL1321398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.12", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Methyl benzethonium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836008", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THALIDOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836008, "molecule_chembl_id": "CHEMBL468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1381", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832294", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTINOQUINOL SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832294, "molecule_chembl_id": "CHEMBL2107582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.26", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACTINOQUINOL SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)[O-])c2cccnc12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832296", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832296, "molecule_chembl_id": "CHEMBL1357114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORETHINDRONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827593", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPHENAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827593, "molecule_chembl_id": "CHEMBL1109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfaphenazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827645", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANABENZ ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827645, "molecule_chembl_id": "CHEMBL1200560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.14", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanabenz acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7415", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827660", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOCRIPTINE MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827660, "molecule_chembl_id": "CHEMBL1200503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "750.71", "alogp": "3.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bromocryptine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08637", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827665", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXAPINE SUCCINATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827665, "molecule_chembl_id": "CHEMBL1201155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.90", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loxapine succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831787", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831787, "molecule_chembl_id": "CHEMBL1763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.30", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROFLUMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839004", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839004, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RP101 (Brivudine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827366", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "IC50", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMETINE DIHYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827366, "molecule_chembl_id": "CHEMBL1255782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.13", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emetine Dihydrochloride Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839022", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839022, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832082", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSE BENGAL SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832082, "molecule_chembl_id": "CHEMBL2359093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1017.64", "alogp": "9.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ROSE BENGAL SODIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827383", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827383, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839040", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIRAMESINE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839040, "molecule_chembl_id": "CHEMBL61479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.59", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Siramesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832095", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832095, "molecule_chembl_id": "CHEMBL1214066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.70", "alogp": "2.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC0321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838899", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838899, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olanzapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.054", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827247", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827247, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LDK378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6840.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831952", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831952, "molecule_chembl_id": "CHEMBL551466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACLIDINIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828218", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HISTAMINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828218, "molecule_chembl_id": "CHEMBL1533310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.07", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Histamine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3576", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCc1c[nH]cn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828220", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828220, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valdecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828221", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828221, "molecule_chembl_id": "CHEMBL4303456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Epirubicin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1044", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832255", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832255, "molecule_chembl_id": "CHEMBL1322608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUNISOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831796", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LATREPIRDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831796, "molecule_chembl_id": "CHEMBL2105703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.37", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LATREPIRDINE, DIMEBON DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831797", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831797, "molecule_chembl_id": "CHEMBL594828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.84", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLIGOSIBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833042", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833042, "molecule_chembl_id": "CHEMBL2137199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.48", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-2211"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828341", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINAFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828341, "molecule_chembl_id": "CHEMBL278255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.79", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clinafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838923", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2b adrenergic receptor", "pchembl_value": "5.03", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303096", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1942", "activity_id": 18838923, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9332.54", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "0.18", "sei": "32.02", "bei": "13.57", "le": "0.25"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827292", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827292, "molecule_chembl_id": "CHEMBL1410068", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "5.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isoosajin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.07", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827520", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827520, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Oxiconazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04787", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832226", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMINOX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832226, "molecule_chembl_id": "CHEMBL1276342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.59", "alogp": "-1.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFMINOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832741", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROQUINIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832741, "molecule_chembl_id": "CHEMBL1906890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "HYDROQUINIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828037", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828037, "molecule_chembl_id": "CHEMBL2356666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.86", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tracazolate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827199", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.54", "bao_label": "organism-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827199, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LDK378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2860.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827955", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POMALIDOMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827955, "molecule_chembl_id": "CHEMBL43452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.25", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pomalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01474", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832661", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832661, "molecule_chembl_id": "CHEMBL1741141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.10", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "8-BROMO-CGMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2nc(Br)n([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827464", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827464, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolutegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832862", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832862, "molecule_chembl_id": "CHEMBL2064244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GOLGICIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827742", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827742, "molecule_chembl_id": "CHEMBL1483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Albendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01846", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827750", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHISTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827750, "molecule_chembl_id": "CHEMBL241694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ethisterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1353", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827918", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827918, "molecule_chembl_id": "CHEMBL1324714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.85", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclizine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3956", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832549", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-4987655", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832549, "molecule_chembl_id": "CHEMBL1614766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.29", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RO4987655"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827923", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPENEM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827923, "molecule_chembl_id": "CHEMBL148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.35", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imipenem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832633, "molecule_chembl_id": "CHEMBL1703336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.79", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REBAMIPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](Cc1cc(O)nc2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838890", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838890, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "302.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827738", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORPHENADRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827738, "molecule_chembl_id": "CHEMBL1201023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.85", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Orphenadrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9732", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832113", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832113, "molecule_chembl_id": "CHEMBL1230001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.38", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-1120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827216", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.94", "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827216, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11410.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831919", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFATINIB DIMALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831919, "molecule_chembl_id": "CHEMBL2105712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.09", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AFATINIB (DIMALEATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827220", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827220, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tilorone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4090.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959229", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYPHENCYCLIMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959229, "molecule_chembl_id": "CHEMBL1200891", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPHENCYCLIMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.236", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963834", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963834, "molecule_chembl_id": "CHEMBL442218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.16", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "procysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.856", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959745", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959745, "molecule_chembl_id": "CHEMBL4303283", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP 231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccc(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2s1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958057", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958057, "molecule_chembl_id": "CHEMBL88588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org 25543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963025", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDIBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963025, "molecule_chembl_id": "CHEMBL49642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Indibulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958819", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958819, "molecule_chembl_id": "CHEMBL448620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "608.74", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SNAP-5089"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958811", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958811, "molecule_chembl_id": "CHEMBL1230004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963425", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARMOXIROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963425, "molecule_chembl_id": "CHEMBL70159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carmoxirole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.602", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958823", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958823, "molecule_chembl_id": "CHEMBL3264245", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRAZIQUANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962995", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERLIPRESSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962995, "molecule_chembl_id": "CHEMBL2135460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1227.39", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "terlipressin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957977", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957977, "molecule_chembl_id": "CHEMBL2172106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-628706"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958093", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEGACESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958093, "molecule_chembl_id": "CHEMBL463981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.74", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BEGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962694", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962694, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lodoxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.814", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964265", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.30", "bao_label": "assay format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964265, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958896", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-PROXYPHYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958896, "molecule_chembl_id": "CHEMBL37019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.25", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROXYPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959659", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSIGLITAZONE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959659, "molecule_chembl_id": "CHEMBL843", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.51", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSIGLITAZONE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.563", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963518", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TREQUINSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963518, "molecule_chembl_id": "CHEMBL1256910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.96", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trequinsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c/c(=N\\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962880", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962880, "molecule_chembl_id": "CHEMBL287833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.27", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "co-102862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958281", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958281, "molecule_chembl_id": "CHEMBL4569279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.32", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV011099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c/c(=N\\c2ccc3ccccc3c2)n2ncnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962894", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAQUINOXALINE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962894, "molecule_chembl_id": "CHEMBL1527324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.33", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAQUINOXALINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958295", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958295, "molecule_chembl_id": "CHEMBL119296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "102.18", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pentane-1,5-Diamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962901", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962901, "molecule_chembl_id": "CHEMBL4303333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.78", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MJ-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964025", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964025, "molecule_chembl_id": "CHEMBL2139257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.90", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITOPRIDE  HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958125", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958125, "molecule_chembl_id": "CHEMBL1428840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.51", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML144 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963565", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANSTORINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963565, "molecule_chembl_id": "CHEMBL299155", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "kynurenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958127", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958127, "molecule_chembl_id": "CHEMBL224801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.41", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1N/N=C/c1ccc(/C=N/Nc2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958133", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958133, "molecule_chembl_id": "CHEMBL1489765", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.29", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-388156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1nnc(NC(=O)Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962742", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962742, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PALMIDROL [5mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962110", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962110, "molecule_chembl_id": "CHEMBL502124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.09", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "aurora-a-inhibitor-i"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.037", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962150", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962150, "molecule_chembl_id": "CHEMBL3633893", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.39", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-O-9311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963389", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963389, "molecule_chembl_id": "CHEMBL485210", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(COc2cccc(/C=C3\\C(=O)NN(c4ccccc4)C3=O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957258", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENOSINE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957258, "molecule_chembl_id": "CHEMBL752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ADENOSINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957260", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957260, "molecule_chembl_id": "CHEMBL213100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.68", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WH-4-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962970", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962970, "molecule_chembl_id": "CHEMBL4303368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZLN005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(-c2nc3ccccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963569", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963569, "molecule_chembl_id": "CHEMBL1454946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963074", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963074, "molecule_chembl_id": "CHEMBL4303330", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCc1c[nH]c2ccccc12)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963075, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flurizan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962847", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962847, "molecule_chembl_id": "CHEMBL1569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMANTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958665", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958665, "molecule_chembl_id": "CHEMBL4303298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Theanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963269", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "E968", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963269, "molecule_chembl_id": "CHEMBL349605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "-2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erythritol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958805", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONDANSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958805, "molecule_chembl_id": "CHEMBL3186492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.86", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ONDANSETRON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962486", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962486, "molecule_chembl_id": "CHEMBL2337806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.89", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AS-1949490"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958063", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958063, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DIGITOXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962669", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALBUPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962669, "molecule_chembl_id": "CHEMBL1201132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.91", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalbuphine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958070", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958070, "molecule_chembl_id": "CHEMBL1394402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.31", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-616763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962909", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SNS-314", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962909, "molecule_chembl_id": "CHEMBL482767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SNS-314 methanesulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958309", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+/-)NICOTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958309, "molecule_chembl_id": "CHEMBL440464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nicotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962912", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962912, "molecule_chembl_id": "CHEMBL1584055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.40", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SBE-13"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962823", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK163090", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962823, "molecule_chembl_id": "CHEMBL1631540", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.54", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK163090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962706", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962706, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963547", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZILPATEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963547, "molecule_chembl_id": "CHEMBL513390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.79", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zilpaterol_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962274", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIVANIB ALANINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962274, "molecule_chembl_id": "CHEMBL270995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Brivanib alaninate (BMS-582664)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957674", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957674, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIOGLITAZONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962281", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962281, "molecule_chembl_id": "CHEMBL1449159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.89", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRE-084"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961866", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MACITENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961866, "molecule_chembl_id": "CHEMBL2103873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.28", "alogp": "3.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Macitentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962292", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARIPRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962292, "molecule_chembl_id": "CHEMBL2028019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cariprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957326", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DYCLONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957326, "molecule_chembl_id": "CHEMBL1201217", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.42", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DYCLONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957926", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOCEPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957926, "molecule_chembl_id": "CHEMBL218394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.69", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BOCEPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957329", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957329, "molecule_chembl_id": "CHEMBL4575419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "670.86", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SAQUINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957930", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957930, "molecule_chembl_id": "CHEMBL4555760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "744.91", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SEMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NNC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957931, "molecule_chembl_id": "CHEMBL59925", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.17", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961849", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961849, "molecule_chembl_id": "CHEMBL2216827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.51", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNX-774"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964223", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.80", "bao_label": "assay format", "molecule_pref_name": "BENZOTHIAZYL DISULFIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964223, "molecule_chembl_id": "CHEMBL508112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.50", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZOTHIAZYL DISULFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "160.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SSc3nc4ccccc4s3)nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962580", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962580, "molecule_chembl_id": "CHEMBL251997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.84", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-MeCCPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962902", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTALBITAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962902, "molecule_chembl_id": "CHEMBL454", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "butalbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957851", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARIFENACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957851, "molecule_chembl_id": "CHEMBL1346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DARIFENACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963405", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAMIPRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963405, "molecule_chembl_id": "CHEMBL1231530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETAMIPRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.682", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958933", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYCERYL MONOSTEARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958933, "molecule_chembl_id": "CHEMBL255696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.56", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Monostearin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962266", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962266, "molecule_chembl_id": "CHEMBL4303591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.91", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(2-chlorophenyl)-2-({(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazino}carbothioyl)hydrazinecarbothioamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NNC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORIMURON ETHYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958440, "molecule_chembl_id": "CHEMBL1231791", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.83", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORIMURON ETHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963042", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VACTOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963042, "molecule_chembl_id": "CHEMBL3260567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EW-7197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.025", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958442", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958442, "molecule_chembl_id": "CHEMBL4548959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.61", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JERVINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963449", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAMOTOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963449, "molecule_chembl_id": "CHEMBL4297181", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY3023414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958444", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958444, "molecule_chembl_id": "CHEMBL4535998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.81", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CM-TPMF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C/Nc1nc2nccc(C(C)Oc3ccc(Cl)cc3C)n2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963048", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963048, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bosentan Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962699", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962699, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALTRETAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962869", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962869, "molecule_chembl_id": "CHEMBL2386874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.37", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEN-1269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958448", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VELNACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958448, "molecule_chembl_id": "CHEMBL51934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VELNACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958452", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA-NAPHTHOFLAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958452, "molecule_chembl_id": "CHEMBL26260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.30", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-NAPHTHOFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962875, "molecule_chembl_id": "CHEMBL1200798", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.33", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962817", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962817, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "thiethylperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.931", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958536, "molecule_chembl_id": "CHEMBL444422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.44", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD008518"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCCc1ccc(CCSC(=N)N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961942", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961942, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib (HM781-36B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957348", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957348, "molecule_chembl_id": "CHEMBL410456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D 4476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962548", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962548, "molecule_chembl_id": "CHEMBL586702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.42", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZSTK474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957513", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLEPHRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957513, "molecule_chembl_id": "CHEMBL1215", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenylephrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958314", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958314, "molecule_chembl_id": "CHEMBL24850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC30930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958171", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958171, "molecule_chembl_id": "CHEMBL153238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.61", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD095802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958371", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958371, "molecule_chembl_id": "CHEMBL173706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.43", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963070", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963070, "molecule_chembl_id": "CHEMBL399572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.37", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "remodelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2csc(NN=C3CCCC3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959041", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BACAMPICILLIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959041, "molecule_chembl_id": "CHEMBL1200965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.99", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BACAMPICILLIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957979", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957979, "molecule_chembl_id": "CHEMBL1299863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.53", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T16A(inh)-A01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957509", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957509, "molecule_chembl_id": "CHEMBL4553284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "567.69", "alogp": "5.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HG-9-91-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957859", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957859, "molecule_chembl_id": "CHEMBL377219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.16", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 438079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962160", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962160, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPTOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962162", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962162, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962164", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962164, "molecule_chembl_id": "CHEMBL259388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.59", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "R-59022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962092", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETOZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962092, "molecule_chembl_id": "CHEMBL1697853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETOZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958930", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958930, "molecule_chembl_id": "CHEMBL1201082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.79", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.847", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957519", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957519, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIZOLAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962750, "molecule_chembl_id": "CHEMBL1289779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.86", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etizolam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958150", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958150, "molecule_chembl_id": "CHEMBL479960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[4-(benzyloxy)phenyl]glycinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958163, "molecule_chembl_id": "CHEMBL212414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.45", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Integrin Antagonists 27"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)CN2C(=O)N/C(=C\\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958051", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958051, "molecule_chembl_id": "CHEMBL3410246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.50", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958954", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENTICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958954, "molecule_chembl_id": "CHEMBL2107703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "7.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fenticonazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.516", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962559", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXSALEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962559, "molecule_chembl_id": "CHEMBL416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2cc2ccc(=O)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957974", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957974, "molecule_chembl_id": "CHEMBL2333945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.90", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN 201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957746", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOREPINEPHRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957746, "molecule_chembl_id": "CHEMBL1437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.18", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NOREPINEPHRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957581", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPARSENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957581, "molecule_chembl_id": "CHEMBL539423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "592.76", "alogp": "6.54", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "SPARSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957302", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957302, "molecule_chembl_id": "CHEMBL1321988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRS 2578"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957201", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIVOZANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957201, "molecule_chembl_id": "CHEMBL1289494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.87", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TIVOZANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957474", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957474, "molecule_chembl_id": "CHEMBL686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957532", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957532, "molecule_chembl_id": "CHEMBL1256759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832570", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE IIA SULFONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832570, "molecule_chembl_id": "CHEMBL1473252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SODIUM-TANSHINONE-II-A-SULFONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832572", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECYSTEINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832572, "molecule_chembl_id": "CHEMBL1490495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.65", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECYSTEINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(N)CS.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827871", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827871, "molecule_chembl_id": "CHEMBL389621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydrocortisone base"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828050", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828050, "molecule_chembl_id": "CHEMBL1201059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.20", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proguanil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832755, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Apitolisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833087", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERCIRNON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833087, "molecule_chembl_id": "CHEMBL2178578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.94", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VERCIRNON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833088", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833088, "molecule_chembl_id": "CHEMBL2178735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.49", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM201636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832985", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIZOFENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832985, "molecule_chembl_id": "CHEMBL2106822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.88", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIZOFENONE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829089", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLSALAZINE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829089, "molecule_chembl_id": "CHEMBL1201013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLSALAZINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833094", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833094, "molecule_chembl_id": "CHEMBL2180603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKLB1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832995", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYNESTRENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832995, "molecule_chembl_id": "CHEMBL2107431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LYNESTRENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833698, "molecule_chembl_id": "CHEMBL354048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.51", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCLAREOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833060", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCENICLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833060, "molecule_chembl_id": "CHEMBL3137323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.31", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ENCENICLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827922", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHADIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827922, "molecule_chembl_id": "CHEMBL695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.14", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimethadione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)OC(C)(C)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828020", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALMETEROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828020, "molecule_chembl_id": "CHEMBL1263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salmeterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03697", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832635", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETEBENECID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832635, "molecule_chembl_id": "CHEMBL1705586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.31", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETEBENECID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832636", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832636, "molecule_chembl_id": "CHEMBL1708510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.44", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-2745687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828032", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTRINONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828032, "molecule_chembl_id": "CHEMBL1868702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gestrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828038", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828038, "molecule_chembl_id": "CHEMBL542549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.71", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ozagrel hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8887", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832743", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALTOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832743, "molecule_chembl_id": "CHEMBL1908365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "D-(+)-MALTOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832744", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINAFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832744, "molecule_chembl_id": "CHEMBL1908370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.39", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "8-CYANO-1-CYCLOPROPYL-6-FLUORO-7-((4AS,7AS)-HEXAHYDROPYRROLO[3,4-B][1,4]OXAZIN-6(2H)-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829947", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYZINE PAMOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829947, "molecule_chembl_id": "CHEMBL1200467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "763.29", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYZINE PAMOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834406", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTOCHLOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834406, "molecule_chembl_id": "CHEMBL4297275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.67", "alogp": "-0.88", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "5-CHLORO-2'-DEOXYCYTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834606", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYLOSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834606, "molecule_chembl_id": "CHEMBL42743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "916.11", "alogp": "1.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TYLOSIN TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832794", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAZANIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832794, "molecule_chembl_id": "CHEMBL2104101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.11", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORAZANIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828366", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBROTIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828366, "molecule_chembl_id": "CHEMBL1742471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ebrotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02711", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834865", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834865, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUNARIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829672", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829672, "molecule_chembl_id": "CHEMBL285063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.22", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD168393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830066", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TECALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830066, "molecule_chembl_id": "CHEMBL2107572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TECALCET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829695", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829695, "molecule_chembl_id": "CHEMBL33620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.75", "alogp": "6.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-33805 OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835286", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUORESCEIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835286, "molecule_chembl_id": "CHEMBL4297067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluorescein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835397", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPSAICIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835397, "molecule_chembl_id": "CHEMBL294199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Capsaicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1538", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835677", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835677, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumiracoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835817", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMACAFTOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835817, "molecule_chembl_id": "CHEMBL2103870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.41", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VX-809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04797", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835825", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOLEVULINIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835825, "molecule_chembl_id": "CHEMBL601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Aminolevulinic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04501", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828682", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828682, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Zanamivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3133", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829137", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829137, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMFIBROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828940", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRALIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828940, "molecule_chembl_id": "CHEMBL46469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID98251"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2Cc2cccc(O)c21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830828", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRINABEREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830828, "molecule_chembl_id": "CHEMBL450940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.25", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRINABEREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829562", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829562, "molecule_chembl_id": "CHEMBL23996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITISINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834264", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834264, "molecule_chembl_id": "CHEMBL4203266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.96", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834269", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834269, "molecule_chembl_id": "CHEMBL4303177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.92", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK8745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829570", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829570, "molecule_chembl_id": "CHEMBL1897150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.12", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BACLOFEN HYDROCHLORIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834275", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834275, "molecule_chembl_id": "CHEMBL4303304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.40", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LICOCHALCONE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834283", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834283, "molecule_chembl_id": "CHEMBL4303359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.00", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BELNACASAN (VX-765)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829640", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLATED HYDROXYTOLUENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829640, "molecule_chembl_id": "CHEMBL146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.36", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BUTYLATED HYDROXYTOLUENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829641", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMOTRIGINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829641, "molecule_chembl_id": "CHEMBL741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.10", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMOTRIGINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829647", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829647, "molecule_chembl_id": "CHEMBL284895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.11", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBOTENIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835853", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835853, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefixime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835773", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.0708905,0.043927144)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835773, "molecule_chembl_id": "CHEMBL1990474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rifabutin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05741", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2\\CNC/C(=C\\c3ccc(C)cc3)C2=O)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835774", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.106434725,0.068290015)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAMPIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835774, "molecule_chembl_id": "CHEMBL374478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifampicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08736", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834348", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834348, "molecule_chembl_id": "CHEMBL437765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.75", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "RIFAMYCIN SV SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829077", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829077, "molecule_chembl_id": "CHEMBL1200981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "EPIRUBICIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833851", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONOCTANOIN COMPONENT A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833851, "molecule_chembl_id": "CHEMBL1570482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.29", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MONOCTANOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833658", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLISTIMETHATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833658, "molecule_chembl_id": "CHEMBL1201441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 4, "image_file": "smallMolecule.svg", "compound_key": "COLISTIMETHATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829174", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829174, "molecule_chembl_id": "CHEMBL1256645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.25", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-23390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829183", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-365260", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829183, "molecule_chembl_id": "CHEMBL9387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-365260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829184", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARACEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829184, "molecule_chembl_id": "CHEMBL9116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "-0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARACEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)ON(C(C)=O)C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829486", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTIPYRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829486, "molecule_chembl_id": "CHEMBL277474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTIPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829344", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "YOHIMBINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829344, "molecule_chembl_id": "CHEMBL537669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.91", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "YOHIMBINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834044", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834044, "molecule_chembl_id": "CHEMBL4303715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.30", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPSI-1306-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1CC(c2ccc(F)cc2F)=NO1)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834495", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834495, "molecule_chembl_id": "CHEMBL444963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.98", "alogp": "2.77", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MIDECAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829661", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829661, "molecule_chembl_id": "CHEMBL280974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ELIPRODIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834743", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.06 \u00b1 0", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834743, "molecule_chembl_id": "CHEMBL2094620", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829679", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANETHIDINE MONOSULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829679, "molecule_chembl_id": "CHEMBL1345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANETHIDINE MONOSULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830371", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCRIPTAID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830371, "molecule_chembl_id": "CHEMBL96051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCRIPTAID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829875, "molecule_chembl_id": "CHEMBL1256695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.82", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NISOXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccccc1OC)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830064", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830064, "molecule_chembl_id": "CHEMBL59461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ARGATROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835276", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELODIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835276, "molecule_chembl_id": "CHEMBL1480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felodipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830309", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830309, "molecule_chembl_id": "CHEMBL90290", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.25", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MNITMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829955", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANSTORINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829955, "molecule_chembl_id": "CHEMBL299155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KYNURENIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834657", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN LYSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834657, "molecule_chembl_id": "CHEMBL1201141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.48", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IBUPROFEN LYSINE (NEOPROFEN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830747", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830747, "molecule_chembl_id": "CHEMBL1528839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.73", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENFORMIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830750, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ENILURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835716", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIGATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835716, "molecule_chembl_id": "CHEMBL3545311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.11", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "brigatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829803", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOTHIAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829803, "molecule_chembl_id": "CHEMBL828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.28", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOTHIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835613", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835613, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.166", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829996", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOBUTAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829996, "molecule_chembl_id": "CHEMBL1200418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOBUTAMINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829121", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829121, "molecule_chembl_id": "CHEMBL446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830029", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMTHAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830029, "molecule_chembl_id": "CHEMBL293762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMTHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830041", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830041, "molecule_chembl_id": "CHEMBL444309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-741742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834506", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834506, "molecule_chembl_id": "CHEMBL4303214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FRUQUINTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834863", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834863, "molecule_chembl_id": "CHEMBL540612", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "454.01", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835118", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835118, "molecule_chembl_id": "CHEMBL95", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.27", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830415", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDROCILAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830415, "molecule_chembl_id": "CHEMBL102358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.23", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(2-HYDROXYETHYL)-3-PHENYLACRYLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835541", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARECOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835541, "molecule_chembl_id": "CHEMBL1206690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Parecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829320", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOTRETINOIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829320, "molecule_chembl_id": "CHEMBL547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ISOTRETINON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835674", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBENZARIT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835674, "molecule_chembl_id": "CHEMBL1986706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.69", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lobenzarit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1685", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835863", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOZAPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835863, "molecule_chembl_id": "CHEMBL42", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clozapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1925", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958303", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958303, "molecule_chembl_id": "CHEMBL1271764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.65", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119792"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963927", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LETERMOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963927, "molecule_chembl_id": "CHEMBL1241951", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "572.56", "alogp": "5.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Letermovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.075", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959325", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959325, "molecule_chembl_id": "CHEMBL4303634", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-hydroxy-3-phenylpentanamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(O)(CC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959326", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959326, "molecule_chembl_id": "CHEMBL1813256", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Ixazomib Citrate (MLN9708)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964385", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964385, "molecule_chembl_id": "CHEMBL2354521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.86", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxyfedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963938", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963938, "molecule_chembl_id": "CHEMBL9453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.42", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RWJ-50271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959788", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHYLPARABEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959788, "molecule_chembl_id": "CHEMBL15841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL PARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958786", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958786, "molecule_chembl_id": "CHEMBL4303195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.32", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4BP-TQS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(Br)cc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958543", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSE BENGAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958543, "molecule_chembl_id": "CHEMBL1208422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "973.67", "alogp": "9.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ROSE BENGAL SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958240", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958240, "molecule_chembl_id": "CHEMBL2235152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.71", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 1e [PMID: 27285276]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUPENTIXOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962856, "molecule_chembl_id": "CHEMBL54661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.53", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Flupentixol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957274", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELONSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957274, "molecule_chembl_id": "CHEMBL3916717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.50", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "selonsertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957523", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRENZEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957523, "molecule_chembl_id": "CHEMBL9967", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.41", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRENZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962124", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIPASUDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962124, "molecule_chembl_id": "CHEMBL3426621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.39", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ripasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.547", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962141", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIRAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962141, "molecule_chembl_id": "CHEMBL1255646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.74", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cirazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CC2)c(OCC2=NCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958116", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958116, "molecule_chembl_id": "CHEMBL1340537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-626080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962720", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962720, "molecule_chembl_id": "CHEMBL439259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.80", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PQ-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962723", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALMOTRIPTAN MALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962723, "molecule_chembl_id": "CHEMBL1200521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.56", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Almotriptan malate (Axert)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963020", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963020, "molecule_chembl_id": "CHEMBL542414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.86", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962749", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY2979165", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962749, "molecule_chembl_id": "CHEMBL3544939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 1, "image_file": "smallMolecule.svg", "compound_key": "LY2979165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964235", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.97", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964235, "molecule_chembl_id": "CHEMBL119171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1080.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958814", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958814, "molecule_chembl_id": "CHEMBL2140203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CANRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(C=CC4=CC(=O)CC[C@@]43C)C1CC[C@@]21CCC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963531", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963531, "molecule_chembl_id": "CHEMBL430717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rec-15/2615"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.757", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958095", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958095, "molecule_chembl_id": "CHEMBL507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "<i>N</i>-methylhistamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(CCN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFATUTAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958856, "molecule_chembl_id": "CHEMBL3545280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.60", "alogp": "5.04", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Inolitazone (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.011", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961879", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961879, "molecule_chembl_id": "CHEMBL8565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.36", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-1115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "108.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961882", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGS-15943", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961882, "molecule_chembl_id": "CHEMBL16687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.69", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS-15943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.329", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957289", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957289, "molecule_chembl_id": "CHEMBL222418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.16", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNQX disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961897", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DASATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961897, "molecule_chembl_id": "CHEMBL1421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.02", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dasatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.597", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961952", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961952, "molecule_chembl_id": "CHEMBL213100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.68", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WH-4-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957355", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELIRAGON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957355, "molecule_chembl_id": "CHEMBL3989929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.13", "alogp": "8.44", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "azeliragon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957356", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957356, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHEXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961956", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOMENTHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961956, "molecule_chembl_id": "CHEMBL470670", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVOMENTHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04418948", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962177, "molecule_chembl_id": "CHEMBL3286797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04418948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957583", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROBUCOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957583, "molecule_chembl_id": "CHEMBL608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.86", "alogp": "9.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PROBUCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957589", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PONESIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957589, "molecule_chembl_id": "CHEMBL1096146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.98", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PONESIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963396", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963396, "molecule_chembl_id": "CHEMBL371811", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.24", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DFB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cccc(/C=N/N=C/c2cccc(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958800", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROGLUMETACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958800, "molecule_chembl_id": "CHEMBL2105825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "844.45", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Proglumetacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957860", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957860, "molecule_chembl_id": "CHEMBL2048484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.52", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962463", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962463, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emtricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963404", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELESCLOMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963404, "molecule_chembl_id": "CHEMBL1972860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.53", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Elesclomol (STA-4783)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962467", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962467, "molecule_chembl_id": "CHEMBL398567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.48", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963406", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUCYTOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963406, "molecule_chembl_id": "CHEMBL1463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "129.09", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUCYTOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.805", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1[nH]c(=O)ncc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962085", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962085, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaguanine-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962086", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIRIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962086, "molecule_chembl_id": "CHEMBL152632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.21", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "niridazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1c1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957494, "molecule_chembl_id": "CHEMBL2419490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.55", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963229", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NANDROLONE DECANOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963229, "molecule_chembl_id": "CHEMBL1200946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.66", "alogp": "7.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nandrolone decanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957655", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957655, "molecule_chembl_id": "CHEMBL186526", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM 336372"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958384", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958384, "molecule_chembl_id": "CHEMBL425027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC 55649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963088", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963088, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957666", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957666, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORDIHYDROGUAIARETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963242", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEMBOREXANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963242, "molecule_chembl_id": "CHEMBL3545367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.42", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lemborexant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962148", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MONOBENZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962148, "molecule_chembl_id": "CHEMBL1388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MONOBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.945", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963635", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETYLPYRIDINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963635, "molecule_chembl_id": "CHEMBL2003538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.01", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CETYLPYRIDINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.987", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962578", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APTIGANEL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962578, "molecule_chembl_id": "CHEMBL554054", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cerestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.728", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959651", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FPL-55712", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959651, "molecule_chembl_id": "CHEMBL267475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.53", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPL-55712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCC(O)COc2ccc3c(=O)cc(C(=O)O)oc3c2CCC)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958447", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958447, "molecule_chembl_id": "CHEMBL4562388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.46", "alogp": "7.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GI 530159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963217", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963217, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Galunisertib (LY2157299)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962872", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962872, "molecule_chembl_id": "CHEMBL1087641", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.58", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genz-123346 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.791", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963519", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RADEZOLID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963519, "molecule_chembl_id": "CHEMBL455461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.46", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Radezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958774", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958774, "molecule_chembl_id": "CHEMBL1600780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.86", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-723C86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.644", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963639", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISTRADEFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963639, "molecule_chembl_id": "CHEMBL431770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Istradefylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957410", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957410, "molecule_chembl_id": "CHEMBL2206278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AC710"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963644", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINOXALINE1", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963644, "molecule_chembl_id": "CHEMBL259389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.19", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CDK1-5-inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nc3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957505", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957505, "molecule_chembl_id": "CHEMBL483158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.93", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "ALISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962547", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RELEBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962547, "molecule_chembl_id": "CHEMBL3112741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Relebactam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962667", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOXAZOLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962667, "molecule_chembl_id": "CHEMBL472566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.58", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOXAZOLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7143", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(Cl)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VILDAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959633, "molecule_chembl_id": "CHEMBL142703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vildagliptin (LAF-237)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962396", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962396, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962062, "molecule_chembl_id": "CHEMBL112816", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.76", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-19220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957479", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957479, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BEXAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959718", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "D-PHENYLALANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959718, "molecule_chembl_id": "CHEMBL379630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-PHENYLALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959219", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIROXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959219, "molecule_chembl_id": "CHEMBL527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIROXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964340", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.00", "bao_label": "assay format", "molecule_pref_name": "AUROTHIOGLUCOSE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964340, "molecule_chembl_id": "CHEMBL2354773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "aurothioglucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962710", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICOTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962710, "molecule_chembl_id": "CHEMBL1257015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.42", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "picotamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.152", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958949", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERODILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958949, "molecule_chembl_id": "CHEMBL363295", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.44", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "terodiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962727", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962727, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALOPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962728", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADATANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962728, "molecule_chembl_id": "CHEMBL2111138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adatanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959807", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959807, "molecule_chembl_id": "CHEMBL1255841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R(+)-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@H](c2cccc(O)c2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959362", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHYLNOREPINEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959362, "molecule_chembl_id": "CHEMBL1322824", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.69", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethylnorepinephrine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(N)C(O)c1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963387", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963387, "molecule_chembl_id": "CHEMBL3822934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "718.81", "alogp": "6.61", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "verteporfin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959168", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959168, "molecule_chembl_id": "CHEMBL1234222", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.15", "alogp": "-2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Deoxy-2-fluoro-D-galactose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELTA-TOCOTRIENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830508, "molecule_chembl_id": "CHEMBL121305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.62", "alogp": "7.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DELTA-TOCOTRIENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830576", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830576, "molecule_chembl_id": "CHEMBL134074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-504393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835401", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HUPERZINE A", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835401, "molecule_chembl_id": "CHEMBL1255901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(-)-Huperzine A (HupA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2677", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\[C@H]2C=C(C)C[C@@]1(N)c1ccc(=O)[nH]c1C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835298", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835298, "molecule_chembl_id": "CHEMBL1637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.66", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835780", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROCURONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835780, "molecule_chembl_id": "CHEMBL1201244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.79", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "rocuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829298", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORANTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829298, "molecule_chembl_id": "CHEMBL274654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ORANTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834639", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM MONOFLUOROPHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834639, "molecule_chembl_id": "CHEMBL1908359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.95", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SODIUM MONOFLUOROPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])([O-])F.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835787", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUPATADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835787, "molecule_chembl_id": "CHEMBL91397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.97", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rupatadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829323", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOMOUCINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829323, "molecule_chembl_id": "CHEMBL280074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OLOMOUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835797", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIBUTRAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835797, "molecule_chembl_id": "CHEMBL1419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.86", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sibutramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2623", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834652", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834652, "molecule_chembl_id": "CHEMBL4303212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.95", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "LITHIUM CITRATE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li].[Li].[Li]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829353", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DETROTHYRONINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829353, "molecule_chembl_id": "CHEMBL557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LIOTHYRONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833769", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833769, "molecule_chembl_id": "CHEMBL1618018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HOMATROPINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829357", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829357, "molecule_chembl_id": "CHEMBL1728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.81", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOMEFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829528", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPINEPHRINE BITARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829528, "molecule_chembl_id": "CHEMBL1256958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.29", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPINEPHRINE BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPHENOTHANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829370, "molecule_chembl_id": "CHEMBL416898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "4,4'-DDT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834230", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834230, "molecule_chembl_id": "CHEMBL4208500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833934", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833934, "molecule_chembl_id": "CHEMBL4303364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.13", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-BROMOCAMPHOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(Br)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828754", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME AXETIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828754, "molecule_chembl_id": "CHEMBL1095930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.48", "alogp": "-0.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefuroxime axetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1456", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834752", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.89 \u00b1 0.83", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834752, "molecule_chembl_id": "CHEMBL4303661", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.82", "alogp": "9.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC1NDSS5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "890.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830051", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "T091317", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830051, "molecule_chembl_id": "CHEMBL62136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.34", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-0901317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834617", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYPRESSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834617, "molecule_chembl_id": "CHEMBL1200690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1056.24", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "LYPRESSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834623", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834623, "molecule_chembl_id": "CHEMBL4303620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.55", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRINTEGRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCC1CC1)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835811", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDARABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835811, "molecule_chembl_id": "CHEMBL1090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vidarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835574", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXETHAZAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835574, "molecule_chembl_id": "CHEMBL127592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.65", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oxethazaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834628", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL PALMITATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834628, "molecule_chembl_id": "CHEMBL1506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.55", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORAMPHENICOL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829927", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMIDIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829927, "molecule_chembl_id": "CHEMBL284328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.32", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834501", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834501, "molecule_chembl_id": "CHEMBL4303289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMI-4A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2cccc(C(F)(F)F)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829802", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEZAFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829802, "molecule_chembl_id": "CHEMBL264374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.83", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BEZAFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829599", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBUTEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829599, "molecule_chembl_id": "CHEMBL714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALBUTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829554", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURAMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829554, "molecule_chembl_id": "CHEMBL1964991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.81", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FURAMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833475", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833475, "molecule_chembl_id": "CHEMBL3648328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD6738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828975", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOTHRIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828975, "molecule_chembl_id": "CHEMBL1322884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Phenothrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828776", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828776, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834882", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834882, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "verapamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834485", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834485, "molecule_chembl_id": "CHEMBL4296718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAZ2-ICR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829787", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829787, "molecule_chembl_id": "CHEMBL1374843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "648.26", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOBENGUANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCc1cccc(I)c1.N=C(N)NCc1cccc(I)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835680", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELEVODOPA", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835680, "molecule_chembl_id": "CHEMBL1328898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "melevodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832465", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCARNITINE PROPIONATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832465, "molecule_chembl_id": "CHEMBL2107420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.73", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVOCARNITINE PROPIONATE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829650", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829650, "molecule_chembl_id": "CHEMBL1404407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.01", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOMERIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829139", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829139, "molecule_chembl_id": "CHEMBL8085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.19", "alogp": "-0.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-LYSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833847", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833847, "molecule_chembl_id": "CHEMBL3039338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AJMALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1C2CC3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2C5O)N3[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833856, "molecule_chembl_id": "CHEMBL1740879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.36", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCOPOLAMINE-N-OXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833857", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833857, "molecule_chembl_id": "CHEMBL161500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.38", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CI-923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(C)CN1CCc2c(c(=O)oc3ccccc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833870", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833870, "molecule_chembl_id": "CHEMBL1200588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLINDAMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834189", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834189, "molecule_chembl_id": "CHEMBL4303688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGS 21680 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835686", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIANSERIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835686, "molecule_chembl_id": "CHEMBL6437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.37", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mianserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ccccc3Cc3ccccc3C2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835690", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL TYROSINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835690, "molecule_chembl_id": "CHEMBL65543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyl-tyrosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.135", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829351", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZNIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829351, "molecule_chembl_id": "CHEMBL110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.25", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834313", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834313, "molecule_chembl_id": "CHEMBL4303652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.83", "alogp": "4.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VALNEMULIN HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835763", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835763, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1348", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828344", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLOMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828344, "molecule_chembl_id": "CHEMBL1200500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Beclomethasone dipropionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5406", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839036", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE IC50 == CC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839036, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Silmitasertib (CX-4945)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "216.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832666", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DONITRIPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832666, "molecule_chembl_id": "CHEMBL1742428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.49", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DONITRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828212", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOGREL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828212, "molecule_chembl_id": "CHEMBL1771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.83", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clopidogrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827965", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPINIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827965, "molecule_chembl_id": "CHEMBL1200411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropinirole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01531", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828428", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828428, "molecule_chembl_id": "CHEMBL635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.43", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prednisone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831696", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRL-15,572", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831696, "molecule_chembl_id": "CHEMBL534232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.96", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-15572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836569", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.217736544,0.080072409)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE ETHYLCARBONATE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836569, "molecule_chembl_id": "CHEMBL3138665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.49", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quinine-ethyl-carbonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1489", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827230", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827230, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "150000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827988", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827988, "molecule_chembl_id": "CHEMBL1790014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methylatropine nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3249", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827991", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827991, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metyrapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828457", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828457, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aztreonam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828215", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828215, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Irbesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3537", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831955", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALEXIDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831955, "molecule_chembl_id": "CHEMBL554041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.73", "alogp": "4.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ALEXIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832935", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPIRIMUS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832935, "molecule_chembl_id": "CHEMBL2105168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAPIRIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)c2cccc3ccccc23)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833056", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833056, "molecule_chembl_id": "CHEMBL2144958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAUROLIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832941, "molecule_chembl_id": "CHEMBL2105420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "-2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAUROLIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827700", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827700, "molecule_chembl_id": "CHEMBL806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832347", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832347, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832248", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832248, "molecule_chembl_id": "CHEMBL1317823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.29", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH6809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827643", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSULFAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827643, "molecule_chembl_id": "CHEMBL820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Busulfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827552", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827552, "molecule_chembl_id": "CHEMBL1200413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tetrahydrozoline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(c1)CCCC2C1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827455", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827455, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.08", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832200", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARLAPREVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832200, "molecule_chembl_id": "CHEMBL1255891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "707.98", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "NARLAPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832204", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORIN1", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832204, "molecule_chembl_id": "CHEMBL1256459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "607.64", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TORIN 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832205", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFLURALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832205, "molecule_chembl_id": "CHEMBL1256668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.28", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFLURALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831974", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLUMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831974, "molecule_chembl_id": "CHEMBL1200570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "-3.36", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827273", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ANIDULAFUNGIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827273, "molecule_chembl_id": "CHEMBL264241", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Anidulafungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.78", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827505", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827505, "molecule_chembl_id": "CHEMBL1200756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyridoxine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CO)c1O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838932", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "8.60", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838932, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.512", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "3.75", "sei": "54.74", "bei": "23.21", "le": "0.44"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827511", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALENDRONATE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827511, "molecule_chembl_id": "CHEMBL675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.08", "alogp": "-1.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Alendronate sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827513", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOMOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827513, "molecule_chembl_id": "CHEMBL1702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tomoxetine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827445", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827445, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832150", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-IMINOBIOTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832150, "molecule_chembl_id": "CHEMBL1233598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.33", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-IMINOBIOTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828103", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828103, "molecule_chembl_id": "CHEMBL4303251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyproterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828207", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPIRAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828207, "molecule_chembl_id": "CHEMBL1201204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.65", "alogp": "0.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefpiramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838745", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "HERG", "pchembl_value": "6.80", "bao_label": "cell membrane format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303779", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL240", "activity_id": 18838745, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": "Cell membranes", "cell_chembl_id": "CHEMBL3307715", "assay_cell_type": "HEK293", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "158.49", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells", "bao_format": "BAO_0000249"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832302", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832302, "molecule_chembl_id": "CHEMBL1358525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838812", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838812, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LURASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832180, "molecule_chembl_id": "CHEMBL1615372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.15", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LURASIDONE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832187", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832187, "molecule_chembl_id": "CHEMBL1241268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.22", "alogp": "0.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIFITHRIN-MU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)C#Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827485", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELIPROLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827485, "molecule_chembl_id": "CHEMBL1742424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.96", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Celiprolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.008424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828115", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828115, "molecule_chembl_id": "CHEMBL1256360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.72", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-) Isoproterenol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)c1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832833", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832833, "molecule_chembl_id": "CHEMBL2032211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-I-2000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827621", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827621, "molecule_chembl_id": "CHEMBL1201102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.89", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triflupromazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832328", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832328, "molecule_chembl_id": "CHEMBL1394088", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(D)-5-METHYLHYDANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827628", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENHYDRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827628, "molecule_chembl_id": "CHEMBL1620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphenhydramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828247", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEVASTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828247, "molecule_chembl_id": "CHEMBL54440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mevastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828318", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULCONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828318, "molecule_chembl_id": "CHEMBL1200348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.77", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sulconazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832271", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832271, "molecule_chembl_id": "CHEMBL1331734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.34", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-625987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828254", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828254, "molecule_chembl_id": "CHEMBL2354637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxeladin citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIPEROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832856, "molecule_chembl_id": "CHEMBL2059304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIPEROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832857", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832857, "molecule_chembl_id": "CHEMBL2059865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-12080282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828156", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828156, "molecule_chembl_id": "CHEMBL850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sparfloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832156", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832156, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832277", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832277, "molecule_chembl_id": "CHEMBL1334817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.32", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIGUAZODAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N\\c1ccc(C2=NNC(=O)C[C@@H]2C)cc1)NC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827574", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827574, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaguanine-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827471", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827471, "molecule_chembl_id": "CHEMBL302753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ambrisentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831785", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831785, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SOTRASTAURIN (AEB071)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827559", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXOFYLLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827559, "molecule_chembl_id": "CHEMBL1527608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Doxofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0992", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827353", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827353, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42590.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832057", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERINDOPRILAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832057, "molecule_chembl_id": "CHEMBL1201368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.42", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PERINDOPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833041", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833041, "molecule_chembl_id": "CHEMBL2135566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.29", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PICROTOXININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839007", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839007, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RP101 (Brivudine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "244.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827360", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.25", "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827360, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839015", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839015, "molecule_chembl_id": "CHEMBL222301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-PPCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21134.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839020", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839020, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INCB18424"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.082", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832083", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832083, "molecule_chembl_id": "CHEMBL1209431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN-238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831953", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831953, "molecule_chembl_id": "CHEMBL1693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.76", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMFEPRAMONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(C)C(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832922", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETIPTILINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832922, "molecule_chembl_id": "CHEMBL2104895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SETIPTILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)c1ccccc1Cc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838914", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838914, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1445439.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838915", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838915, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832936", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCINAPLON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832936, "molecule_chembl_id": "CHEMBL2105199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.31", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCINAPLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832594", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK163090", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832594, "molecule_chembl_id": "CHEMBL1631540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.54", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK163090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827890", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827890, "molecule_chembl_id": "CHEMBL152632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.21", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Niridazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.078", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1c1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827891", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFORANIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827891, "molecule_chembl_id": "CHEMBL1201046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "-0.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceforanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828260", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXYQUINOLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828260, "molecule_chembl_id": "CHEMBL223448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Broxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5902", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Br)cc(Br)c2cccnc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827236", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DIHYDROGAMBOGIC ACID", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827236, "molecule_chembl_id": "CHEMBL1526240", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "630.78", "alogp": "7.03", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Dihydrogambogic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9850.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C/C=C(/C)C(=O)O)C4O)C3=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831793", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOCRISTINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831793, "molecule_chembl_id": "CHEMBL1255837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "707.85", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DIHYDROERGOCRISTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831794", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AP18 5", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831794, "molecule_chembl_id": "CHEMBL593902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AP-18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=C\\c1ccc(Cl)cc1)/C(C)=N/O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831904", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831904, "molecule_chembl_id": "CHEMBL2028187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "879.86", "alogp": "6.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ERYTHROSINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827595", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827595, "molecule_chembl_id": "CHEMBL439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.28", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0006413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827608", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827608, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrimethamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7421", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832154", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832154, "molecule_chembl_id": "CHEMBL1234222", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.15", "alogp": "-2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-DEOXY-2-FLUORO-D-GALACTOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828130", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANASTROZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828130, "molecule_chembl_id": "CHEMBL1399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Anastrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832836", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832836, "molecule_chembl_id": "CHEMBL2036730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.45", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3988"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828132", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLEROXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828132, "molecule_chembl_id": "CHEMBL6273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fleroxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827915", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAPROTERENOL SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827915, "molecule_chembl_id": "CHEMBL1568057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.60", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metaproterenol sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827157", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.64", "bao_label": "organism-based format", "molecule_pref_name": "APILIMOD", "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827157, "molecule_chembl_id": "CHEMBL4297643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Apilimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827475", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827475, "molecule_chembl_id": "CHEMBL1200692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.60", "alogp": "4.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Olmesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827488", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIZANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827488, "molecule_chembl_id": "CHEMBL1200329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.18", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tizanidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838834", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARTIAL ACTIVE CC50==IC50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838834, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.055", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955851", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIDOFOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955851, "molecule_chembl_id": "CHEMBL152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cidofovir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955713", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENICILLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955713, "molecule_chembl_id": "CHEMBL1430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956828", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALCINONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956828, "molecule_chembl_id": "CHEMBL1200845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.97", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960216", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALIFOSFAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960216, "molecule_chembl_id": "CHEMBL889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.02", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Palifosfamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(NCCCl)NCCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960217", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2608204", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960217, "molecule_chembl_id": "CHEMBL4297399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "559.82", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "LY2608204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960220", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960220, "molecule_chembl_id": "CHEMBL3287036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.47", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K145 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC/C=C2\\SC(=O)N(CCN)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955854", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955854, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS 777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960197", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960197, "molecule_chembl_id": "CHEMBL3907479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.39", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH5183284 (Debio-1347)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960201", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOMATINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960201, "molecule_chembl_id": "CHEMBL4283683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "4SC-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960205", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960205, "molecule_chembl_id": "CHEMBL233611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.57", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-429242"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960059", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEXARAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960059, "molecule_chembl_id": "CHEMBL192966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "496.65", "alogp": "6.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "fexaramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955819", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INIPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955819, "molecule_chembl_id": "CHEMBL1170047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.03", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iniparib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(I)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960603", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960603, "molecule_chembl_id": "CHEMBL4303171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 02188"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960073", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIBROMSALAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960073, "molecule_chembl_id": "CHEMBL24944", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.92", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIBROMSALAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960077", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERGOSTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960077, "molecule_chembl_id": "CHEMBL1232562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.66", "alogp": "7.33", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ergosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955829", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIVOZANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955829, "molecule_chembl_id": "CHEMBL1289494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.87", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tivozanib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956764", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956764, "molecule_chembl_id": "CHEMBL401930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.97", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-536924"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-52.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828049", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTIONAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828049, "molecule_chembl_id": "CHEMBL1378024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.28", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prothionamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833079", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833079, "molecule_chembl_id": "CHEMBL2171250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.72", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956772", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956772, "molecule_chembl_id": "CHEMBL200027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.64", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-1080", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962440, "molecule_chembl_id": "CHEMBL1969664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD1080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956736", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TG100-115", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956736, "molecule_chembl_id": "CHEMBL230011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.35", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TG100-115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956799", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956799, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLANZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960824", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRITELIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960824, "molecule_chembl_id": "CHEMBL4069597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.50", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pritelivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.676", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956006", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956006, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cantharidin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955808", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955808, "molecule_chembl_id": "CHEMBL1173655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Afatinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960587", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960587, "molecule_chembl_id": "CHEMBL4303565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.96", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Calhex-231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.435", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955692", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955692, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumiracoxib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960665", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Ro-281675", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960665, "molecule_chembl_id": "CHEMBL1096435", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.52", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 28-1675"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960597", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960597, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rufinamide (Banzel)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955804", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955804, "molecule_chembl_id": "CHEMBL3039602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.30", "alogp": "-5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Lactobionic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955805", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955805, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETA-ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960065", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960065, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELAIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956003", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956003, "molecule_chembl_id": "CHEMBL3273984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "17-Acetoxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960690", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960690, "molecule_chembl_id": "CHEMBL365141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.61", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "U-18666A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960788", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960788, "molecule_chembl_id": "CHEMBL238125", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.76", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.682", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRODAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960698, "molecule_chembl_id": "CHEMBL298019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirodavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834180, "molecule_chembl_id": "CHEMBL1236821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.13", "alogp": "-2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XYLOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833945", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833945, "molecule_chembl_id": "CHEMBL262746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1019.26", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "OCTREOTIDE (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833946", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833946, "molecule_chembl_id": "CHEMBL1455300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TERREIC-ACID-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827765", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTROLENE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827765, "molecule_chembl_id": "CHEMBL928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.24", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dantrolene sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835861", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835861, "molecule_chembl_id": "CHEMBL446918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.04", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clopidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C)c(Cl)c(=O)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827771", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827771, "molecule_chembl_id": "CHEMBL419213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.53", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832481", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832481, "molecule_chembl_id": "CHEMBL1530633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PINDOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832192", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832192, "molecule_chembl_id": "CHEMBL1254577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0364739"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827491", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIROFIBAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827491, "molecule_chembl_id": "CHEMBL1704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.07", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tirofiban hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827983", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLPARABEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827983, "molecule_chembl_id": "CHEMBL459008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butylparaben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827990", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILOXANIDE FUROATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827990, "molecule_chembl_id": "CHEMBL1334860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.15", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diloxanide furoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6722", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832055", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXCHLORPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832055, "molecule_chembl_id": "CHEMBL1200927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXCHLORPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827641", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACYCLOVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827641, "molecule_chembl_id": "CHEMBL184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.21", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acyclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COCCO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832346", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832346, "molecule_chembl_id": "CHEMBL1405034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UB-165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C2=CCC[C@H]3CC[C@@H]2N3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827524", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPENZOLATE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827524, "molecule_chembl_id": "CHEMBL1724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mepenzolate bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827895", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENTIAZAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827895, "molecule_chembl_id": "CHEMBL589092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fentiazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831887", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831887, "molecule_chembl_id": "CHEMBL1095008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.03", "alogp": "2.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "GINSENOSIDE RG3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955600", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MALOTILATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955600, "molecule_chembl_id": "CHEMBL1697754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Malotilate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960379", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960379, "molecule_chembl_id": "CHEMBL186872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.22", "alogp": "-1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRIMA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.708", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CCN(CC2)C1(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955678", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMEBUTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955678, "molecule_chembl_id": "CHEMBL190044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Trimebutine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960455", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960455, "molecule_chembl_id": "CHEMBL3828009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.32", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2874455"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.539", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960083", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARZENIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960083, "molecule_chembl_id": "CHEMBL414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.20", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARZENIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960248", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960248, "molecule_chembl_id": "CHEMBL4303309", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.63", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CX-5461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.409", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955836", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955836, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Adapalene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957792", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957792, "molecule_chembl_id": "CHEMBL3786182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2879552"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957794", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELIGLUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957794, "molecule_chembl_id": "CHEMBL2110588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELIGLUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961962", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961962, "molecule_chembl_id": "CHEMBL1256917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.31", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eticlopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957366", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957366, "molecule_chembl_id": "CHEMBL4538684", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DUVELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961965", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961965, "molecule_chembl_id": "CHEMBL97771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SRC-kinase-inhibitor-I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957369", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957369, "molecule_chembl_id": "CHEMBL3122117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.84", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-9605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957370, "molecule_chembl_id": "CHEMBL238125", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.76", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957461", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957461, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sonidegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957698, "molecule_chembl_id": "CHEMBL4528169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HEDERAGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRABENAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957755, "molecule_chembl_id": "CHEMBL117785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRABENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962364", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN AG 879", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962364, "molecule_chembl_id": "CHEMBL539947", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.47", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 879 (AG 879)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962369", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962369, "molecule_chembl_id": "CHEMBL26019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.24", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "homoveratrylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957771", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957771, "molecule_chembl_id": "CHEMBL3414619", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC1999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957774", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957774, "molecule_chembl_id": "CHEMBL3287735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957784", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957784, "molecule_chembl_id": "CHEMBL4565370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.61", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@]3(C)C(N)=O)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955897", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIRACIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955897, "molecule_chembl_id": "CHEMBL1625260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tiracizine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955898", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDROCILAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955898, "molecule_chembl_id": "CHEMBL102358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "191.23", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Brolitene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960322", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOPROPAMIDE IODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960322, "molecule_chembl_id": "CHEMBL1200347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOPROPAMIDE IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955988", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHSUXIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955988, "molecule_chembl_id": "CHEMBL697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methsuximide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962293", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOROPAFANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962293, "molecule_chembl_id": "CHEMBL1628662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.72", "alogp": "7.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "foropafant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.093", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(-c2csc(N(CCN(C)C)Cc3cccnc3)n2)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957695", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957695, "molecule_chembl_id": "CHEMBL2057918", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "606.70", "alogp": "4.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RN486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957751", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957751, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957752", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957752, "molecule_chembl_id": "CHEMBL4303523", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.00", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960774", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URETHANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960774, "molecule_chembl_id": "CHEMBL462547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URETHANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960524", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960524, "molecule_chembl_id": "CHEMBL3589010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iCRT-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C2\\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMEFANTRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955931, "molecule_chembl_id": "CHEMBL38827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.95", "alogp": "9.15", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Benflumetol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956045", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRUCALOPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956045, "molecule_chembl_id": "CHEMBL117287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prucalopride hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956743", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956743, "molecule_chembl_id": "CHEMBL1229535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956745", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956745, "molecule_chembl_id": "CHEMBL66654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C#Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960296", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960296, "molecule_chembl_id": "CHEMBL4303320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.56", "alogp": "-1.35", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Naringin Dihydrochalcone (Naringin DC)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.936", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829538", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829538, "molecule_chembl_id": "CHEMBL22304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.21", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(CCCP(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829540", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUFENAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829540, "molecule_chembl_id": "CHEMBL23588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.23", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUFENAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834358", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834358, "molecule_chembl_id": "CHEMBL4303708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.42", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ZAURATEGRAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834476", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834476, "molecule_chembl_id": "CHEMBL4303362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.97", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALOBETASOL PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832903", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANETESPIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832903, "molecule_chembl_id": "CHEMBL2103879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GANETESPIB (STA-9090)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828179", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828179, "molecule_chembl_id": "CHEMBL1704605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.90", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rosiglitazone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830077", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830077, "molecule_chembl_id": "CHEMBL436559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.35", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARIPORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830019", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830019, "molecule_chembl_id": "CHEMBL57242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.46", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZILSARTAN (TAK-536)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830180, "molecule_chembl_id": "CHEMBL1449159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.89", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRE-084"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830185", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830185, "molecule_chembl_id": "CHEMBL275655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "117.15", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-METHYL-GABA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834300", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834300, "molecule_chembl_id": "CHEMBL4303530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.36", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNBS5162"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829494, "molecule_chembl_id": "CHEMBL3187096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.43", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIVASTIGMINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@@H](O)[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833659", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833659, "molecule_chembl_id": "CHEMBL4303189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.51", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-4059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828761", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828761, "molecule_chembl_id": "CHEMBL1200871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tolterodine tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828968", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICERGOLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828968, "molecule_chembl_id": "CHEMBL1372950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833479", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833479, "molecule_chembl_id": "CHEMBL3688339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.43", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTS167"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833482", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FABOMOTIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833482, "molecule_chembl_id": "CHEMBL3707307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FABOMOTIZOLE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829336", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829336, "molecule_chembl_id": "CHEMBL128672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIPROXIFAN MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833740", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPERODON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833740, "molecule_chembl_id": "CHEMBL2109119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "DIPERODON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833743", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833743, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MOZAVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834747", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "222.44 \u00b1 332.15", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEVONEDISTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834747, "molecule_chembl_id": "CHEMBL2364622", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "479.99", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEVONEDISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "222440.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834748", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "11.04 \u00b1 1.07", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834748, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11040.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835571", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACALCET", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835571, "molecule_chembl_id": "CHEMBL1201284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinacalcet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07555", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834632", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834632, "molecule_chembl_id": "CHEMBL4303566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.29", "alogp": "-2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "API-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835819", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAFIRLUKAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835819, "molecule_chembl_id": "CHEMBL603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.69", "alogp": "5.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Zafirlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828174", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828174, "molecule_chembl_id": "CHEMBL3306578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.67", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Fosinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828178", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVASTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828178, "molecule_chembl_id": "CHEMBL1144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.53", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pravastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828189", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828189, "molecule_chembl_id": "CHEMBL4303363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.98", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amorolfine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7606", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835651", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMEQUINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835651, "molecule_chembl_id": "CHEMBL370252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.25", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flumequine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835352", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABEMACICLIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835352, "molecule_chembl_id": "CHEMBL3301610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.61", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LY2835219"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0735", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830655", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830655, "molecule_chembl_id": "CHEMBL1274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.22", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NILUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829934", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829934, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "Ebselen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830859", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830859, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FLURIZAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834867", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834867, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830339", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDROPHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830339, "molecule_chembl_id": "CHEMBL1128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDROPHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829534", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CL-976", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829534, "molecule_chembl_id": "CHEMBL22373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.57", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CI-976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829788", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829788, "molecule_chembl_id": "CHEMBL693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.43", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835770", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETAPAMULIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835770, "molecule_chembl_id": "CHEMBL1658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.78", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "retapamulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07786", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834891", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834891, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832487", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832487, "molecule_chembl_id": "CHEMBL1550996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-METHYLLIDOCAINE-IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827789", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827789, "molecule_chembl_id": "CHEMBL3189135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.67", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylpropanolamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01498", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827794", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827794, "molecule_chembl_id": "CHEMBL1677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tacrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832759", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WP 1066", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832759, "molecule_chembl_id": "CHEMBL1923234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "WP1066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832760", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGLIPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832760, "molecule_chembl_id": "CHEMBL1929396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.46", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ANAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833926", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOLAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833926, "molecule_chembl_id": "CHEMBL878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOLAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834243", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834243, "molecule_chembl_id": "CHEMBL4303643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.16", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UF-010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNNC(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829654", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829654, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZONISAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835556", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYTOIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835556, "molecule_chembl_id": "CHEMBL16", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenytoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(O)NC1(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835558", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYSOSTIGMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835558, "molecule_chembl_id": "CHEMBL94", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "physostigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.353", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828083", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACETAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828083, "molecule_chembl_id": "CHEMBL1584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.58", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piperacetazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.405", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829777", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPROSTENOL SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829777, "molecule_chembl_id": "CHEMBL1520583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.90", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPROSTENOL-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829778", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829778, "molecule_chembl_id": "CHEMBL39878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.59", "alogp": "7.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-404"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829784", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW501516", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829784, "molecule_chembl_id": "CHEMBL38943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.51", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GW 501516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827783", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANETHIDINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827783, "molecule_chembl_id": "CHEMBL2051958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.71", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Guanethidine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04902", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCN1CCCCCCC1.N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832492", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832492, "molecule_chembl_id": "CHEMBL1552984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REMACEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccccc1)(NC(=O)CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828060", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXONIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828060, "molecule_chembl_id": "CHEMBL19236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.68", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moxonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9675", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828062", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBENOSIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828062, "molecule_chembl_id": "CHEMBL3301681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tribenoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832778", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832778, "molecule_chembl_id": "CHEMBL1962516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.16", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRAZINOYLGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828079", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828079, "molecule_chembl_id": "CHEMBL4303599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "680.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Penbutolol sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3196", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828082", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRETANIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828082, "molecule_chembl_id": "CHEMBL349803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piretanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828717", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMESTANE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828717, "molecule_chembl_id": "CHEMBL132530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Formestane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.365", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833796", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-12177", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833796, "molecule_chembl_id": "CHEMBL420746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-12177"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833372", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833372, "molecule_chembl_id": "CHEMBL3392223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIC10 ANALOGUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1CN1CC2=C(CCN(Cc3ccccc3)C2=O)N2CCN=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831433", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831433, "molecule_chembl_id": "CHEMBL455185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.26", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-55845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827860", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827860, "molecule_chembl_id": "CHEMBL267648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.36", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pefloxacine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02715", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829690", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXFOSFOSERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829690, "molecule_chembl_id": "CHEMBL284377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.07", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXFOSFOSERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](COP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830495", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830495, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VX-745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834677", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.25 \u00b1 0.06", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.60", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834677, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "250.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831299", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831299, "molecule_chembl_id": "CHEMBL261454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY364947"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831301", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831301, "molecule_chembl_id": "CHEMBL258465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c3c(c1)c1c(n3CCNC2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828698", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERATRODAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828698, "molecule_chembl_id": "CHEMBL70972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Seratrodast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829026", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829026, "molecule_chembl_id": "CHEMBL1256817", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "362.30", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clemizole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833891", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833891, "molecule_chembl_id": "CHEMBL4524114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.52", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BNTX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828416", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROMETHOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828416, "molecule_chembl_id": "CHEMBL1200600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluorometholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08915", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832660", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM PICOSULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832660, "molecule_chembl_id": "CHEMBL1697768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.42", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM PICOSULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828419", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIMETHOXINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828419, "molecule_chembl_id": "CHEMBL62193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadimethoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1573", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833123", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833123, "molecule_chembl_id": "CHEMBL2322201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYR-41"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828423", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828423, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acetohexamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828449", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERFENADINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828449, "molecule_chembl_id": "CHEMBL17157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.69", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TERFENADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828450", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828450, "molecule_chembl_id": "CHEMBL454950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tetracycline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0001993", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833158", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEDIPASVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833158, "molecule_chembl_id": "CHEMBL2374220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "889.02", "alogp": "8.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LEDIPASVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836232", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROXAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836232, "molecule_chembl_id": "CHEMBL292707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ibuproxam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1712", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)NO)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831364", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831364, "molecule_chembl_id": "CHEMBL1200941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.28", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831368", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831368, "molecule_chembl_id": "CHEMBL271227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ABIRATERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831370, "molecule_chembl_id": "CHEMBL272357", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.18", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-MU-8C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2c(C=O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836251", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOLIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836251, "molecule_chembl_id": "CHEMBL1622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.40", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Folic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1591", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835969", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMCICLOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835969, "molecule_chembl_id": "CHEMBL880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Famciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827870", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARTEOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827870, "molecule_chembl_id": "CHEMBL1201002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.84", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carteolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02922", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828354", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828354, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phthalylsulfathiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03434", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831634", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831634, "molecule_chembl_id": "CHEMBL479014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.03", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-BROMO-7-NITROINDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2c(Br)n[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829905", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829905, "molecule_chembl_id": "CHEMBL45349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.71", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-191011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827931", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROLOX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827931, "molecule_chembl_id": "CHEMBL153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trolox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833014", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASISULAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833014, "molecule_chembl_id": "CHEMBL2110587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.12", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASISULAM (LY573636)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828244", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLACILLIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828244, "molecule_chembl_id": "CHEMBL1200356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclacillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6193", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831349", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTATHIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831349, "molecule_chembl_id": "CHEMBL1543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "-2.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GLUTATHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829115", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEROTONIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829115, "molecule_chembl_id": "CHEMBL535832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.68", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEROTONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836139", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.093041228,0.035448104)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836139, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mupirocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831282", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831282, "molecule_chembl_id": "CHEMBL257167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPCA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832977", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPOTIAZINE PALMITATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832977, "molecule_chembl_id": "CHEMBL2106439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "714.09", "alogp": "10.06", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PIPOTIAZINE-PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828275", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828275, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Monensin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8055", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832698, "molecule_chembl_id": "CHEMBL1801204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8055"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "105.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827996", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NABUMETONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827996, "molecule_chembl_id": "CHEMBL1070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nabumetone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(CCC(C)=O)ccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833071", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-6482", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833071, "molecule_chembl_id": "CHEMBL2165191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-6482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834831", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834831, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIOGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834427", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834427, "molecule_chembl_id": "CHEMBL4303505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.30", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PTEROSTILBENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829728", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829728, "molecule_chembl_id": "CHEMBL32854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CILOMILAST (SB-207499)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834440, "molecule_chembl_id": "CHEMBL4303486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "112.13", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SORBIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC=CC=CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829744", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829744, "molecule_chembl_id": "CHEMBL34431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CILOSTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829752", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECOQUINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829752, "molecule_chembl_id": "CHEMBL416230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.55", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DECOQUINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831018", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAMANID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831018, "molecule_chembl_id": "CHEMBL218650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.49", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DELAMANID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830919", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830919, "molecule_chembl_id": "CHEMBL370438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECROSTATIN 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831028", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831028, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOPIRAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835999", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENELIGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835999, "molecule_chembl_id": "CHEMBL2147777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Teneligliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830879", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830879, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "THIETHYLPERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836496", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CURCUMIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836496, "molecule_chembl_id": "CHEMBL116438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Curcumin, Diferuloylmethane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834795", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "33 \u00b1 4.61", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CROCONAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834795, "molecule_chembl_id": "CHEMBL27289", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "310.78", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828246", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828246, "molecule_chembl_id": "CHEMBL1753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.99", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clindamycin Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5664", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833807", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENILSETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833807, "molecule_chembl_id": "CHEMBL2104853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TENILSETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCNC1c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831350", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIOTHYRONINE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831350, "molecule_chembl_id": "CHEMBL1201119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "672.96", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIOTHYRONINE (L- ISOMER) SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828286", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPENZOLATE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828286, "molecule_chembl_id": "CHEMBL1401367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pipenzolate bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.114", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836225", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESZOPICLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836225, "molecule_chembl_id": "CHEMBL1522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eszopiclone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831354", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIACITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831354, "molecule_chembl_id": "CHEMBL272557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.11", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FIACITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828052", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFAXALONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828052, "molecule_chembl_id": "CHEMBL190279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alfaxalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830129, "molecule_chembl_id": "CHEMBL306380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833792", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833792, "molecule_chembl_id": "CHEMBL302529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828394", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENAZEPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828394, "molecule_chembl_id": "CHEMBL1694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.96", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benazepril hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02798", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833798", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833798, "molecule_chembl_id": "CHEMBL204738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828403", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANATOSIDE C", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828403, "molecule_chembl_id": "CHEMBL506569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Lanatoside C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833371", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARITAPREVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833371, "molecule_chembl_id": "CHEMBL3391662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.89", "alogp": "3.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PARITAPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827856", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARISOPRODOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827856, "molecule_chembl_id": "CHEMBL1233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carisoprodol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)(COC(N)=O)COC(=O)NC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830059", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830059, "molecule_chembl_id": "CHEMBL535396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIMANTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)C12CC3CC(CC(C3)C1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834386", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834386, "molecule_chembl_id": "CHEMBL1697708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.57", "alogp": "-0.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MEZLOCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834765", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "160.08 \u00b1 139.15", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HAEMAPORPHYRIN", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834765, "molecule_chembl_id": "CHEMBL317840", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "598.70", "alogp": "6.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "HEMATOPORPHYRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "160080.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835206", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN PALMITATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835206, "molecule_chembl_id": "CHEMBL1201289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.41", "alogp": "6.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Clindamycin palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1881", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINITOLMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831440, "molecule_chembl_id": "CHEMBL472565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DINITOLMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835212", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFIBRIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835212, "molecule_chembl_id": "CHEMBL683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.65", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOFIBRIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830387", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVASIMIBE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830387, "molecule_chembl_id": "CHEMBL101309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.73", "alogp": "7.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVASIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836316", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836316, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "L-Thyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829696", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOMELATONIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829696, "molecule_chembl_id": "CHEMBL289233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.18", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-IODOMELATONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836181", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSIGLITAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836181, "molecule_chembl_id": "CHEMBL121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.44", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rosiglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836182", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRAMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836182, "molecule_chembl_id": "CHEMBL453514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "843.06", "alogp": "2.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Rovamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831312", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831312, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOFEZOLAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836184", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM SALICYLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836184, "molecule_chembl_id": "CHEMBL447868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.10", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1888", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828683", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCLOFENAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828683, "molecule_chembl_id": "CHEMBL94081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.66", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1624", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccc(CC(=O)O)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833390", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833390, "molecule_chembl_id": "CHEMBL3417243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.68", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALS-8112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828694", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828694, "molecule_chembl_id": "CHEMBL4303703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "770.94", "alogp": "6.00", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Bisbentiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.055", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(\\CCOC(=O)c1ccccc1)SS/C(CCOC(=O)c1ccccc1)=C(\\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831334", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831334, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830657", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FROVATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830657, "molecule_chembl_id": "CHEMBL2138684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.41", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FROVATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829937", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALIFOSFAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829937, "molecule_chembl_id": "CHEMBL889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.02", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PALIFOSFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(NCCCl)NCCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834716", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "12.78 \u00b1 11.06", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.89", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834716, "molecule_chembl_id": "CHEMBL3350262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DCPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829022", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829022, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Omeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.35", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830032", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830032, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMATINIB MESYLATE (STI571)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830199", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANGERETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830199, "molecule_chembl_id": "CHEMBL73930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.37", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID104265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830211", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830211, "molecule_chembl_id": "CHEMBL1329690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.74", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIGLUSTAT (N-BUTYLDEOXYNOJIRIMYCIN HCL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829300", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIRAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829300, "molecule_chembl_id": "CHEMBL1255646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.74", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIRAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CC2)c(OCC2=NCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834213", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPHOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834213, "molecule_chembl_id": "CHEMBL504760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAMPHOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828745", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGAFUR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828745, "molecule_chembl_id": "CHEMBL20883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tegafur"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n(C2CCCO2)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957572", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957572, "molecule_chembl_id": "CHEMBL2133556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.52", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HC-067047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962136", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOBUTYRAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962136, "molecule_chembl_id": "CHEMBL352219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "87.12", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isobutyramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829602", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTEPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829602, "molecule_chembl_id": "CHEMBL285802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.87", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOTEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829612", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROADIFEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829612, "molecule_chembl_id": "CHEMBL347036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.97", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROADIFEN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829125", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHOXYPYRIDAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829125, "molecule_chembl_id": "CHEMBL268869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHOXYPYRIDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835683", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAXALONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835683, "molecule_chembl_id": "CHEMBL1079604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metaxalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829312", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEQUINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829312, "molecule_chembl_id": "CHEMBL544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834915", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPRANOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834915, "molecule_chembl_id": "CHEMBL305380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bupranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4669", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834016", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834016, "molecule_chembl_id": "CHEMBL4303681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "VITAMIN B12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834886", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834886, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829307", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANILLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829307, "molecule_chembl_id": "CHEMBL13883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829388", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829388, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMPRENAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LB-100", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834009, "molecule_chembl_id": "CHEMBL4297300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.31", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LB-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829516", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829516, "molecule_chembl_id": "CHEMBL279731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.16", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS 19755"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834224", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834224, "molecule_chembl_id": "CHEMBL4303507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.42", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "O-1918"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC)cc(C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829524", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMELTOLIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829524, "molecule_chembl_id": "CHEMBL22916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMELTOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834226", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834226, "molecule_chembl_id": "CHEMBL4303495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.61", "alogp": "6.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GUE-1654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834066", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAPENTIN ENACARBIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834066, "molecule_chembl_id": "CHEMBL1628502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.39", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GABAPENTIN-ENACARBIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829082", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOPRIM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829082, "molecule_chembl_id": "CHEMBL22", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHOPRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834229", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834229, "molecule_chembl_id": "CHEMBL4303249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLEVUDINE (LEVOVIR)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830841", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830841, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OPIPRAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835785", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROPALMATINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835785, "molecule_chembl_id": "CHEMBL487182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.43", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rotundine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829769", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829769, "molecule_chembl_id": "CHEMBL1200961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.32", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829772", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROVIRDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829772, "molecule_chembl_id": "CHEMBL39999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.25", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROVIRDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCCc1ccccn1)Nc1ccc(Br)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835807", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRAMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835807, "molecule_chembl_id": "CHEMBL453514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "843.06", "alogp": "2.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Spiramycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835572", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835572, "molecule_chembl_id": "CHEMBL4303722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cis-9,trans-11-Conjugated-linoleic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1392", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC/C=C/C=C\\CCCCCCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832467", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832467, "molecule_chembl_id": "CHEMBL1518572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.44", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829020", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829020, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833646", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMILOXAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833646, "molecule_chembl_id": "CHEMBL347695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMILOXAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1ccnc1CC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833781", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOROLFINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833781, "molecule_chembl_id": "CHEMBL489411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.52", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOROLFINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955902", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955902, "molecule_chembl_id": "CHEMBL4541438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.38", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCO-1112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)NCCOc2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955717", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955717, "molecule_chembl_id": "CHEMBL1996003", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.39", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benfluron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960701", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960701, "molecule_chembl_id": "CHEMBL4303614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methyl-5-nitrophenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960271", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960271, "molecule_chembl_id": "CHEMBL1479316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.16", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-3852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960702", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1,4-BUTANEDIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960702, "molecule_chembl_id": "CHEMBL171623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "90.12", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1;4-butanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960198", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960198, "molecule_chembl_id": "CHEMBL1368511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.985", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2nc(C3=NCCN3)cnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960199", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZBROMARONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960199, "molecule_chembl_id": "CHEMBL388590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.09", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZBROMARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960203", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABT-639", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960203, "molecule_chembl_id": "CHEMBL3590674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.91", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABT-639"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956846", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956846, "molecule_chembl_id": "CHEMBL441472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCTC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835732", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835732, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Posaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828090", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLURIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828090, "molecule_chembl_id": "CHEMBL1129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.20", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trifluridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3826", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829071", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829071, "molecule_chembl_id": "CHEMBL6705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-AMINOBENZENESULFONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961901", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961901, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mofezolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957230", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957230, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "orlistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957308", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957308, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIMOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961832", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961832, "molecule_chembl_id": "CHEMBL3739699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961834", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961834, "molecule_chembl_id": "CHEMBL2363137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH-535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960097", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960097, "molecule_chembl_id": "CHEMBL373428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.36", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UBP-310"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(C[C@H](N)C(=O)O)c(=O)n(Cc2ccsc2C(=O)O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955849", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955849, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960699", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960699, "molecule_chembl_id": "CHEMBL1743245", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.40", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH223191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.806", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834492", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834492, "molecule_chembl_id": "CHEMBL580421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT-948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835822", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIPRASIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835822, "molecule_chembl_id": "CHEMBL708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.95", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ziprasidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827753", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOPYRAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827753, "molecule_chembl_id": "CHEMBL517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Disopyramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828097", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828097, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Milrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834158", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834158, "molecule_chembl_id": "CHEMBL4303637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "4186.64", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "EXENDIN-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833998", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPRAZINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833998, "molecule_chembl_id": "CHEMBL1885437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPRAZINONE 2HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959243", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BQ-123", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959243, "molecule_chembl_id": "CHEMBL1269102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BQ-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.245", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959758", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959758, "molecule_chembl_id": "CHEMBL463978", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.97", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT 2733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955671", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NADIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955671, "molecule_chembl_id": "CHEMBL363449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.38", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nadifloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960776", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960776, "molecule_chembl_id": "CHEMBL4303572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.18", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-3623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960582", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERNAKALANT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960582, "molecule_chembl_id": "CHEMBL2107383", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.93", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vernakalant (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955954", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RHEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955954, "molecule_chembl_id": "CHEMBL418068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rhein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960647", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SENICAPOC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960647, "molecule_chembl_id": "CHEMBL405821", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Senicapoc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962505", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPSONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962505, "molecule_chembl_id": "CHEMBL1043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957826", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957826, "molecule_chembl_id": "CHEMBL1628691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.27", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 839977"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957732", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METOCLOPRAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957732, "molecule_chembl_id": "CHEMBL86", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.80", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOCLOPRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962434", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962434, "molecule_chembl_id": "CHEMBL38763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "656.14", "alogp": "8.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-140333"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956742", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROLAPITANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956742, "molecule_chembl_id": "CHEMBL3707331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "rolapitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956797", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956797, "molecule_chembl_id": "CHEMBL4564923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "804.03", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TACROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960060", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960060, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960095", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960095, "molecule_chembl_id": "CHEMBL104468", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU 7026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957711", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LENVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957711, "molecule_chembl_id": "CHEMBL1289601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LENVATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962055", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TACEDINALINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962055, "molecule_chembl_id": "CHEMBL235191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CI994 (Tacedinaline)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957713", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUDESONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957713, "molecule_chembl_id": "CHEMBL1370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "budesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957716", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957716, "molecule_chembl_id": "CHEMBL429848", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.60", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS 1102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960294", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFACARBAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960294, "molecule_chembl_id": "CHEMBL139877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFACARBAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957395", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957395, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BMS-599626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957905", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORAPAXAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957905, "molecule_chembl_id": "CHEMBL493982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.59", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VORAPAXAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957401", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957401, "molecule_chembl_id": "CHEMBL4538425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "531.32", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COBIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C2CCCCN2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957733", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZO[DEF]CHRYSENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957733, "molecule_chembl_id": "CHEMBL31184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.32", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZO[a]PYRENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960117", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CP-99994", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960117, "molecule_chembl_id": "CHEMBL441225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-99994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955594", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AUS-131", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955594, "molecule_chembl_id": "CHEMBL198877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Equol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955662", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CREATINOLFOSFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955662, "molecule_chembl_id": "CHEMBL2104114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.13", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Creatinol phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOP(=O)(O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960070", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIROCOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960070, "molecule_chembl_id": "CHEMBL69998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.41", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIROCOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960079", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBOFLAVIN 5'-PHOSPHATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960079, "molecule_chembl_id": "CHEMBL3989697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "514.36", "alogp": "-1.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RIBOFLAVIN 5-PHOSPHATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955923", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSELTAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955923, "molecule_chembl_id": "CHEMBL1229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oseltamivir phosphate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960630", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVOFOSFAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960630, "molecule_chembl_id": "CHEMBL260046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.04", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Evofosfamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960087", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960087, "molecule_chembl_id": "CHEMBL1256322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-57227A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC1CCN(c2cccc(Cl)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955754", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERAMEPROCOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955754, "molecule_chembl_id": "CHEMBL90983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.48", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Terameprocol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955926", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRABENAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955926, "molecule_chembl_id": "CHEMBL117785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tetrabenazine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955855", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955855, "molecule_chembl_id": "CHEMBL2103870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.41", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumacaftor\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828269", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHIZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828269, "molecule_chembl_id": "CHEMBL1191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.34", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfamethizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01199", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832971", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVRIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832971, "molecule_chembl_id": "CHEMBL2106042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "667.21", "alogp": "12.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTILONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832370, "molecule_chembl_id": "CHEMBL2103773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.58", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "OTILONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832375", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832375, "molecule_chembl_id": "CHEMBL1435541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc2[nH]ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFARNATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832931, "molecule_chembl_id": "CHEMBL2105085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "8.42", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GERANYL-FARNESYLACETATE,  GEFARNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\\C)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832379", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832379, "molecule_chembl_id": "CHEMBL1437065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.13", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827678", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACLITAXEL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827678, "molecule_chembl_id": "CHEMBL428647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "853.92", "alogp": "3.74", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Paclitaxel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827679", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827679, "molecule_chembl_id": "CHEMBL263291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "875.11", "alogp": "5.60", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Ivermectin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833055", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833055, "molecule_chembl_id": "CHEMBL2144409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828239", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARNITINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828239, "molecule_chembl_id": "CHEMBL172513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.20", "alogp": "-1.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Levocarnitine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(O)CC(=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832945", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UFENAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832945, "molecule_chembl_id": "CHEMBL2105605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UFENAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832584", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMINE-T", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832584, "molecule_chembl_id": "CHEMBL1697734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.65", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORAMINE-T"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832392", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832392, "molecule_chembl_id": "CHEMBL1447233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.23", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-37157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832362", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUXIBUZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832362, "molecule_chembl_id": "CHEMBL1414320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUXIBUZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827823", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLERGONOVINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827823, "molecule_chembl_id": "CHEMBL1200843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methylergometrine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834314", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834314, "molecule_chembl_id": "CHEMBL4303143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.47", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUBIPROSTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834316", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834316, "molecule_chembl_id": "CHEMBL4303367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.36", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIBENZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C2(c3ccccc3)CC2=C2NCCN2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829622", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARVEDILOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829622, "molecule_chembl_id": "CHEMBL723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARVEDILOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834325", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834325, "molecule_chembl_id": "CHEMBL4303491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.87", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJ-172550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829625", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829625, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829629", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829629, "molecule_chembl_id": "CHEMBL27289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.78", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835705", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835705, "molecule_chembl_id": "CHEMBL148296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-CCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1cc2c3ccccc3nc-2c[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829636", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829636, "molecule_chembl_id": "CHEMBL734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "75.07", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHYDROXAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835706", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE VALERATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835706, "molecule_chembl_id": "CHEMBL1497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.59", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "betamethasone-valerate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1439", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830535", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLPYRAZOLETRIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830535, "molecule_chembl_id": "CHEMBL441282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835711", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BLONANSERIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835711, "molecule_chembl_id": "CHEMBL178803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.51", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "blonanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835461", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASUNAPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835461, "molecule_chembl_id": "CHEMBL2105735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "748.30", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "asunaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835034", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835034, "molecule_chembl_id": "CHEMBL1229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833987", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833987, "molecule_chembl_id": "CHEMBL161702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPA INHIBITOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)CN(O)C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830208", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "alpha-CYANO-4-HYDROXYCINNAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830208, "molecule_chembl_id": "CHEMBL76602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835695", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BELINOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835695, "molecule_chembl_id": "CHEMBL408513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.35", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Belinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02011", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827892", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VATALANIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827892, "molecule_chembl_id": "CHEMBL101253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.82", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Vatalanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827897", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELODIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827897, "molecule_chembl_id": "CHEMBL1480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felodipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.265", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828106", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHICILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828106, "molecule_chembl_id": "CHEMBL1164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.40", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methicillin sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832274", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832274, "molecule_chembl_id": "CHEMBL1332518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMNB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=O)c([N+](=O)[O-])cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831670", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831670, "molecule_chembl_id": "CHEMBL470584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.32", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZILPATEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838725", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M1", "pchembl_value": "5.04", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303090", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL216", "activity_id": 18838725, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9120.11", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.23", "sei": "17.90", "bei": "15.76", "le": "0.31"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957480", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPHINGOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957480, "molecule_chembl_id": "CHEMBL67166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPHINGOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957288", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAMODENOSON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957288, "molecule_chembl_id": "CHEMBL431733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "544.74", "alogp": "1.06", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "2-Cl-IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957290", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957290, "molecule_chembl_id": "CHEMBL1709719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.27", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKA 31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ccc3ccccc32)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961890", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961890, "molecule_chembl_id": "CHEMBL1256672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.36", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CV-1808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963704", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963704, "molecule_chembl_id": "CHEMBL1256759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958939", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958939, "molecule_chembl_id": "CHEMBL1886303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.35", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID2772126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962138", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REMOXIPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962138, "molecule_chembl_id": "CHEMBL3989556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.75", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "remoxipride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958108", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958108, "molecule_chembl_id": "CHEMBL1604074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.43", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ajmalicine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829663", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOXYBENZAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829663, "molecule_chembl_id": "CHEMBL1200787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENOXYBENZAMINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829667", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NANDROLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829667, "molecule_chembl_id": "CHEMBL757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NANDROLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830414", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEIC ACID PHENETHYL ESTER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830414, "molecule_chembl_id": "CHEMBL319244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAFFEIC ACID PHENETHYL ESTER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835125", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAVABOROLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835125, "molecule_chembl_id": "CHEMBL443052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.93", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "tavaborole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(F)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835357", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDROXYPROGESTERONE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835357, "molecule_chembl_id": "CHEMBL717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "medroxyprogesterone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835724", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERONYL BUTOXIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835724, "molecule_chembl_id": "CHEMBL1201131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piperonyl butoxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1894", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830213", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830213, "molecule_chembl_id": "CHEMBL75474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.56", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GALETERONE (TOK-001)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1cnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834924", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFTIFINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834924, "molecule_chembl_id": "CHEMBL626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Caffeine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830473", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830473, "molecule_chembl_id": "CHEMBL115121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "YM022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835180", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAZOLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835180, "molecule_chembl_id": "CHEMBL20", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.25", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETAZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1016", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830476", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPECTINOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830476, "molecule_chembl_id": "CHEMBL3989571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.35", "alogp": "-2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPECTINOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl.O.O.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835629", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835629, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emtricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835648", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINGOLIMOD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835648, "molecule_chembl_id": "CHEMBL314854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.48", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fingolimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1599", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833826", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833826, "molecule_chembl_id": "CHEMBL4303252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.73", "alogp": "6.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ACETYL-11-KETO-BETA-BOSWELLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829027", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829027, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833831", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833831, "molecule_chembl_id": "CHEMBL4303730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIMATOPROST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829235", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROQUINIMEX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829235, "molecule_chembl_id": "CHEMBL11672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROQUINIMEX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834397", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834397, "molecule_chembl_id": "CHEMBL4303207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.74", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(CHLOROMETHYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(CCl)nc2sc3c(c12)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834400", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834400, "molecule_chembl_id": "CHEMBL4164286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.26", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NK-252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834593", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834593, "molecule_chembl_id": "CHEMBL4303606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.40", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TP-003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829474", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENPROFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829474, "molecule_chembl_id": "CHEMBL279898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-N-PROPYLXANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c(=O)c2[nH]cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834178", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINFLUNINE DITARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834178, "molecule_chembl_id": "CHEMBL2105629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1117.12", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "VINFLUNINE DITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829597", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829597, "molecule_chembl_id": "CHEMBL24909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-[1-(4-PIPERONYL)PIPERAZINYL]BENZOTHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829479", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHINDENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829479, "molecule_chembl_id": "CHEMBL22108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIMETINDENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835599", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESORCINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835599, "molecule_chembl_id": "CHEMBL24147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Resorcinol, m-dihydroxybenzene, 3-hydroxyphenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830704", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANOFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830704, "molecule_chembl_id": "CHEMBL2106153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.49", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DANOFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829866", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829866, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830372", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830372, "molecule_chembl_id": "CHEMBL97424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-128907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834577", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834577, "molecule_chembl_id": "CHEMBL4303707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.38", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CW-008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835275", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASUDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835275, "molecule_chembl_id": "CHEMBL38380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.38", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Fasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835214", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLONIXIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835214, "molecule_chembl_id": "CHEMBL1332971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.70", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clonixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1557", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ncccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835380", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835380, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835582", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOLINIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835582, "molecule_chembl_id": "CHEMBL1271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentolinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835402", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEDROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835402, "molecule_chembl_id": "CHEMBL1974890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Cedrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05802", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835116", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUNITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835116, "molecule_chembl_id": "CHEMBL535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sunitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1025", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835779", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.080932332,0.010538072)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835779, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ritonavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830286", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMFENAC SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830286, "molecule_chembl_id": "CHEMBL751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.15", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMFENAC SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835626", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835626, "molecule_chembl_id": "CHEMBL4303168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "861.09", "alogp": "4.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ecamsule-triethanolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1.OCCN(CCO)CCO.OCCN(CCO)CCO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832884", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832884, "molecule_chembl_id": "CHEMBL2356712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.01", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BARNIDIPINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828186", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMEBUTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828186, "molecule_chembl_id": "CHEMBL190044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Trimebutine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832889", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETILISTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832889, "molecule_chembl_id": "CHEMBL2103825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.59", "alogp": "7.36", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CETILISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829287", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829287, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVCROMAKALIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962812", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLUTATHIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962812, "molecule_chembl_id": "CHEMBL1543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "-2.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GSH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957908", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957908, "molecule_chembl_id": "CHEMBL310840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.35", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-265246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)c[nH]c2nncc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962518", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962518, "molecule_chembl_id": "CHEMBL471233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.50", "alogp": "1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR125487 sulfamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957918", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957918, "molecule_chembl_id": "CHEMBL247920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.56", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS309403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962441", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962441, "molecule_chembl_id": "CHEMBL2164551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD9272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962444", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962444, "molecule_chembl_id": "CHEMBL1449747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.23", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mdivi-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-n2c(=S)[nH]c3ccccc3c2=O)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957983, "molecule_chembl_id": "CHEMBL256777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.41", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Merck 544"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCc2nnc(C34CC5CC(CC(C5)C3)C4)n2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958011", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958011, "molecule_chembl_id": "CHEMBL6741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.17", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958390", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMPYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958390, "molecule_chembl_id": "CHEMBL388560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMPYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957059", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCH-900776", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957059, "molecule_chembl_id": "CHEMBL2386889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.26", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-8776"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152528", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152528, "molecule_chembl_id": "CHEMBL3360855", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "4.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ005687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152409", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SENICAPOC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152409, "molecule_chembl_id": "CHEMBL405821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SENICAPOC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152413", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COCARBOXYLASE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152413, "molecule_chembl_id": "CHEMBL1236376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.32", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiamine Pyrophosphate (chloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147876", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIMEPINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147876, "molecule_chembl_id": "CHEMBL3622533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "2.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CUDC-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961433", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961433, "molecule_chembl_id": "CHEMBL4303292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.49", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APY0201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961305", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961305, "molecule_chembl_id": "CHEMBL327002", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.69", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WAY-170523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(C(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148465", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESATENOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148465, "molecule_chembl_id": "CHEMBL343633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148115", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148115, "molecule_chembl_id": "CHEMBL1530428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXAMETHASONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956350", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956350, "molecule_chembl_id": "CHEMBL3604793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LJH685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3ccncc3-c3cc(F)c(O)c(F)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146367", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146367, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151740", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEOCALCITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151740, "molecule_chembl_id": "CHEMBL1908376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.70", "alogp": "6.43", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Seocalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147136", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147136, "molecule_chembl_id": "CHEMBL429910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148309", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148309, "molecule_chembl_id": "CHEMBL320642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.28", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S 18986"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)N[C@H]2CCCN2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145966", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145966, "molecule_chembl_id": "CHEMBL230302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[2-(diethylamino)ethyl]-2-iodobenzamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccccc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147156", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147156, "molecule_chembl_id": "CHEMBL204738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL204738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147261", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMATEPERONE TOSYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147261, "molecule_chembl_id": "CHEMBL3233142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.71", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lumateperone (Tosylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151664", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151664, "molecule_chembl_id": "CHEMBL244403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SAB-378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148253", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASABUVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148253, "molecule_chembl_id": "CHEMBL3137312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dasabuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151412", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151412, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPTOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147180, "molecule_chembl_id": "CHEMBL1318939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.85", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etofylline-clofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151683", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPTIFIBATIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151683, "molecule_chembl_id": "CHEMBL1174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "831.98", "alogp": "-1.84", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "EPTIFIBATIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151688", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151688, "molecule_chembl_id": "CHEMBL3039137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.52", "alogp": "-7.27", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Hygromycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H]3OC4(O[C@@H]3[C@@H]2O)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147193", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147193, "molecule_chembl_id": "CHEMBL4536936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIM1/2 Kinase Inhibitor VI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(/C=C2/SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963170", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM PICOSULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963170, "molecule_chembl_id": "CHEMBL1697768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.42", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sodium Picosulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956792", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEDIRANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956792, "molecule_chembl_id": "CHEMBL491473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CEDIRANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956372", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOFEGILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956372, "molecule_chembl_id": "CHEMBL489079", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.23", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOFEGILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC/C(=C/F)CCc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148391", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148391, "molecule_chembl_id": "CHEMBL3356433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LX7101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961282", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLICERIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961282, "molecule_chembl_id": "CHEMBL2443262", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oliceridine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152625", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152625, "molecule_chembl_id": "CHEMBL233611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.57", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-429242"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148493", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148493, "molecule_chembl_id": "CHEMBL303958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.29", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU6027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146998", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDITOREN PIVOXIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146998, "molecule_chembl_id": "CHEMBL454446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "620.74", "alogp": "2.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFDITORIN PIVOXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\\c3scnc3C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147544", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMOXIPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147544, "molecule_chembl_id": "CHEMBL3989556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.75", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "remoxipride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961250", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961250, "molecule_chembl_id": "CHEMBL521083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.28", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-118057"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961297", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961297, "molecule_chembl_id": "CHEMBL2140173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.68", "alogp": "4.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KU-60019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9172", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956522", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARIQUIDAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956522, "molecule_chembl_id": "CHEMBL348475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "646.74", "alogp": "6.37", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TARIQUIDAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956369", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956369, "molecule_chembl_id": "CHEMBL4163879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.09", "alogp": "5.05", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956482", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VENLAFAXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956482, "molecule_chembl_id": "CHEMBL637", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VENLAFAXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152610", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152610, "molecule_chembl_id": "CHEMBL4532415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.73", "alogp": "5.64", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TANDUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ccnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUPRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961653, "molecule_chembl_id": "CHEMBL2106753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.33", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fluprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.139", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961211", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961211, "molecule_chembl_id": "CHEMBL37312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.41", "alogp": "6.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY225910"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961288", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961288, "molecule_chembl_id": "CHEMBL514344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.96", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SANT-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956346", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956346, "molecule_chembl_id": "CHEMBL516312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.36", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pim1/AKK1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831339", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831339, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFIXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831343", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANOPREVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831343, "molecule_chembl_id": "CHEMBL258734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "731.84", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "DANOPREVIR (ITMN-191)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831345", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831345, "molecule_chembl_id": "CHEMBL261557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN-AG-835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831347", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831347, "molecule_chembl_id": "CHEMBL261491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GO 6983"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAVABOROLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830983, "molecule_chembl_id": "CHEMBL443052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.93", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "TAVABOROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(F)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830984", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "D-PHENYLALANINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830984, "molecule_chembl_id": "CHEMBL379630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-PHENYLALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836113", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836113, "molecule_chembl_id": "CHEMBL524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)C(C)N)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831251", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-FELODIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831251, "molecule_chembl_id": "CHEMBL428768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FELODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836131", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836131, "molecule_chembl_id": "CHEMBL597997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.52", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2894"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831263", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALEPLON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831263, "molecule_chembl_id": "CHEMBL1521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALEPLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831149", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPAZINE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831149, "molecule_chembl_id": "CHEMBL1712842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.52", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831039", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831039, "molecule_chembl_id": "CHEMBL1703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.63", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METFORMIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)N=C(N)N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835911", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILAZEP", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835911, "molecule_chembl_id": "CHEMBL126075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "604.70", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dilazep"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836138", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836138, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "mozavaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1836", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835942", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835942, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entacapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831152", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831152, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835467", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZAPERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835467, "molecule_chembl_id": "CHEMBL340211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2437", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961820", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALIDIXIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961820, "molecule_chembl_id": "CHEMBL5", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALIDIXIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836137", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXIDECTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836137, "molecule_chembl_id": "CHEMBL2104415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "639.83", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "moxidectin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLAZAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961129, "molecule_chembl_id": "CHEMBL817", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLAZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956650", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956650, "molecule_chembl_id": "CHEMBL592176", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.46", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Calcium-Sensing Receptor Antagonists I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961431", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEROTONIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961431, "molecule_chembl_id": "CHEMBL535832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.68", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "serotonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.832", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956381", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956381, "molecule_chembl_id": "CHEMBL4065858", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.06", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(R)-GNE-140"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955705", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HISTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955705, "molecule_chembl_id": "CHEMBL90", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "111.15", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Histamine dihydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960750, "molecule_chembl_id": "CHEMBL543336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.91", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Voreloxin (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152098", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152098, "molecule_chembl_id": "CHEMBL1256917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.31", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eticlopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152100", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152100, "molecule_chembl_id": "CHEMBL411481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.40", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY320135"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(C#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147598", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147598, "molecule_chembl_id": "CHEMBL4061483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "6.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SW033291"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147608", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANCOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147608, "molecule_chembl_id": "CHEMBL1200628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1485.73", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "VANCOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152115", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152115, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vemurafenib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152503", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATAZANAVIR SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152503, "molecule_chembl_id": "CHEMBL1200678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "802.95", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Atazanavir sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151796", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151796, "molecule_chembl_id": "CHEMBL4303489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "792.02", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ascomycin (FK520)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1/C=C(\\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146241", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146241, "molecule_chembl_id": "CHEMBL426560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.67", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-2216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146249", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146249, "molecule_chembl_id": "CHEMBL4077818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.80", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TM-N1324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(F)cc1Cl)CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151083", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAZOPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151083, "molecule_chembl_id": "CHEMBL3137320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.36", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Talazoparib (BMN 673)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146580", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146580, "molecule_chembl_id": "CHEMBL422942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-160170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147074", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIPEXOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147074, "molecule_chembl_id": "CHEMBL301265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pramipexole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147450", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147450, "molecule_chembl_id": "CHEMBL1704116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levobunolol-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147413", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAROPENEM MEDOXOMIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147413, "molecule_chembl_id": "CHEMBL1257070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.41", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Faropenem daloxate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152141", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152141, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153263", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM PHENYLBUTYRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153263, "molecule_chembl_id": "CHEMBL1746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.19", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM PHENYLBUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCCc1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154649", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIMETREXATE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154649, "molecule_chembl_id": "CHEMBL119", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.03", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153437", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRUCEANTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153437, "molecule_chembl_id": "CHEMBL509895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.59", "alogp": "1.15", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Bruceantin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\\C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153200", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153200, "molecule_chembl_id": "CHEMBL3408213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.93", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT251545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147436", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLINDOKALNER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147436, "molecule_chembl_id": "CHEMBL266510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.71", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flindokalner"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146726", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAROXAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146726, "molecule_chembl_id": "CHEMBL2104164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.20", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caroxazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1Cc2ccccc2OC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147446", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPOBENIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147446, "molecule_chembl_id": "CHEMBL1418182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.36", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPOBENIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146359", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NINTEDANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146359, "molecule_chembl_id": "CHEMBL502835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.64", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nintedanib (BIBF 1120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151396", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151396, "molecule_chembl_id": "CHEMBL1297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148875, "molecule_chembl_id": "CHEMBL3182291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.39", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulbactam Pivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154595", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154595, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154509", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154509, "molecule_chembl_id": "CHEMBL178334", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "472.61", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154510", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154510, "molecule_chembl_id": "CHEMBL2178735", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "467.49", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM201636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154524", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154524, "molecule_chembl_id": "CHEMBL4539742", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARN-3236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154526", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154526, "molecule_chembl_id": "CHEMBL3775982", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "464.31", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AY-9944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150353", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150353, "molecule_chembl_id": "CHEMBL3188434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimemorfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154619", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154619, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralatrexate(Folotyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149211", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMIPRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149211, "molecule_chembl_id": "CHEMBL1231530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV002224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150359", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150359, "molecule_chembl_id": "CHEMBL549485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.40", "alogp": "-1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ginkgolide-b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150363", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150363, "molecule_chembl_id": "CHEMBL305242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEDROXYPROGESTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149119", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149119, "molecule_chembl_id": "CHEMBL4534167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Succinylcholine chloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153128", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153128, "molecule_chembl_id": "CHEMBL543113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.88", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-alpha-bis-(4-fluorophenyl)-methoxytropane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153627", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BORTEZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153627, "molecule_chembl_id": "CHEMBL325041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bortezomib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153097", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153097, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pleconaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153106", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMONAFIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153106, "molecule_chembl_id": "CHEMBL428676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amonafide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148603", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REVEFENACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148603, "molecule_chembl_id": "CHEMBL3833319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "597.76", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REVEFENACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961009, "molecule_chembl_id": "CHEMBL3338326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "emoxipin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153551", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153551, "molecule_chembl_id": "CHEMBL1358485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.96", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIBU-1361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154405", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154405, "molecule_chembl_id": "CHEMBL1057", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153217", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153217, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COLCHICINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153219", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-DESMETHYLCLOZAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153219, "molecule_chembl_id": "CHEMBL845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.80", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "desmethylclozapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148717", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148717, "molecule_chembl_id": "CHEMBL34431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cilostamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153821", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTIRACICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153821, "molecule_chembl_id": "CHEMBL1944698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.47", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SB1317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957224", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XANOMELINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957224, "molecule_chembl_id": "CHEMBL21536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.43", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XANOMELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1nsnc1C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957316", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957316, "molecule_chembl_id": "CHEMBL3696180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961903", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVETIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961903, "molecule_chembl_id": "CHEMBL1286", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVETIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957231", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUTAMOREN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957231, "molecule_chembl_id": "CHEMBL13817", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ibutamoren"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961906", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961906, "molecule_chembl_id": "CHEMBL1650951", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "526.52", "alogp": "3.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-21311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961840", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANZISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961840, "molecule_chembl_id": "CHEMBL1950289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tanzisertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957172", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERTRALINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957172, "molecule_chembl_id": "CHEMBL809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.24", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sertraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835014", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835014, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nisoldipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4022", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957190", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957190, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "UBENIMEX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957192", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENAZEPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957192, "molecule_chembl_id": "CHEMBL838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.50", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benazepril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957194", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALTRINDOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957194, "molecule_chembl_id": "CHEMBL567175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.51", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naltrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961803", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPEREZOLID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961803, "molecule_chembl_id": "CHEMBL47955", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.40", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eperezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5109", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961807", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMHEXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961807, "molecule_chembl_id": "CHEMBL1319139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.60", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMHEXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961679", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GPI-1046", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961679, "molecule_chembl_id": "CHEMBL6367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPI-1046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830343", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALPEPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830343, "molecule_chembl_id": "CHEMBL92708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CALPEPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835022", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOMEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835022, "molecule_chembl_id": "CHEMBL1476022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "nomegestrol-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835025", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835025, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norfloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1871", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830741", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830741, "molecule_chembl_id": "CHEMBL4303533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "PIXANTRONE (DIMALEATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835257", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835257, "molecule_chembl_id": "CHEMBL578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.45", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enalapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830539", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXETHAZAINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830539, "molecule_chembl_id": "CHEMBL127592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.65", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OXETHAZAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835255", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFLORNITHINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835255, "molecule_chembl_id": "CHEMBL830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eflornithine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2258", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(N)(C(=O)O)C(F)F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152802", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152802, "molecule_chembl_id": "CHEMBL1397952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HQ-415"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOTESANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152370, "molecule_chembl_id": "CHEMBL572881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Motesanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152060", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152060, "molecule_chembl_id": "CHEMBL4303317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L (+)-Rhamnose Monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960557", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960557, "molecule_chembl_id": "CHEMBL3218011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.38", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RKI-1447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955548", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINALOOL (+)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955548, "molecule_chembl_id": "CHEMBL235672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Linalool"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@](C)(O)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960005", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VX-702", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960005, "molecule_chembl_id": "CHEMBL1090090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960010", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAVOGLURANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960010, "molecule_chembl_id": "CHEMBL3087515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mavoglurant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960013", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960013, "molecule_chembl_id": "CHEMBL402548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Danusertib (PHA-739358)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.952", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961214", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENFLURALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961214, "molecule_chembl_id": "CHEMBL1256668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.28", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benfluralin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.923", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964522", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964522, "molecule_chembl_id": "CHEMBL4303622", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "223.29", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PR-619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "N#CSc1cc(SC#N)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959928", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959928, "molecule_chembl_id": "CHEMBL1394088", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(D)-5-methylhydantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.146", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961516", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEOXYCHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961516, "molecule_chembl_id": "CHEMBL406393", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deoxycholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956341", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956341, "molecule_chembl_id": "CHEMBL262202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "598.77", "alogp": "-0.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FMRFamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956576", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956576, "molecule_chembl_id": "CHEMBL3286929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.77", "alogp": "8.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Deltarasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961174", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961174, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956399", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REPOTRECTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956399, "molecule_chembl_id": "CHEMBL4298138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TPX-0005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960317", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960317, "molecule_chembl_id": "CHEMBL1945130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.10", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenovin-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955543", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IGURATIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955543, "molecule_chembl_id": "CHEMBL2107455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iguratimod\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956421", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956421, "molecule_chembl_id": "CHEMBL2181522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mTOR-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncccn2)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147113", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147113, "molecule_chembl_id": "CHEMBL4173075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.35", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PT-2385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146905", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146905, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "SIROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154415", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HOMIDIUM", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154415, "molecule_chembl_id": "CHEMBL48166", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2040.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153051", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153051, "molecule_chembl_id": "CHEMBL1397643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.99", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRICHLORMETHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.ClCCN(CCCl)CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150284", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMATROBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150284, "molecule_chembl_id": "CHEMBL361812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ramatroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148555", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148555, "molecule_chembl_id": "CHEMBL4078477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RGFP966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(F)ccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150291", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERODILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150291, "molecule_chembl_id": "CHEMBL363295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.44", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "terodiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150296", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150296, "molecule_chembl_id": "CHEMBL3939289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "5.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ONO-8130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(S(=O)(=O)N(CC(C)C)c2cc3c(cc2OCc2ccc(C(=O)O)cc2)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147143", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLERIXAFOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147143, "molecule_chembl_id": "CHEMBL18442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.80", "alogp": "0.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Plerixafor (octahydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148837", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETRIXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148837, "molecule_chembl_id": "CHEMBL512351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.91", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betrixaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148838", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148838, "molecule_chembl_id": "CHEMBL472940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IPA-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150822", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150822, "molecule_chembl_id": "CHEMBL3393599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.54", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-3576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4cccc(C)c4)cn3)c2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150155", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150155, "molecule_chembl_id": "CHEMBL1550996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-methyllidocaine-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149014", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149014, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Piceid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154570", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154570, "molecule_chembl_id": "CHEMBL3609407", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "532.37", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK805"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147229", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147229, "molecule_chembl_id": "CHEMBL4091991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.60", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMX-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961514", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961514, "molecule_chembl_id": "CHEMBL1554438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.82", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N20C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(=O)CNCCC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150147", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUCALOPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150147, "molecule_chembl_id": "CHEMBL117287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prucalopride hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148576", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148576, "molecule_chembl_id": "CHEMBL4303666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caroverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN1C(=O)C(=Cc2ccc(OC)cc2)Nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146340", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146340, "molecule_chembl_id": "CHEMBL88147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.83", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS-1220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150842", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150842, "molecule_chembl_id": "CHEMBL1362630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiaprofenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(C(=O)c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150854", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSAKUTANETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150854, "molecule_chembl_id": "CHEMBL470266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isosakuranetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147246", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147246, "molecule_chembl_id": "CHEMBL379156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-252424"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)o2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153345", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153345, "molecule_chembl_id": "CHEMBL464552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.58", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1838705A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153328", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153328, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pimasertib hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964031", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964031, "molecule_chembl_id": "CHEMBL4303229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.55", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP-775146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(OC(C)(C)C(=O)O)c3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959911", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALTEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959911, "molecule_chembl_id": "CHEMBL254316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.42", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltegravir (MK-0518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961164", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961164, "molecule_chembl_id": "CHEMBL490153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.90", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-867744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960933", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CALCITRIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960933, "molecule_chembl_id": "CHEMBL846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcitriol (Rocaltrol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.901", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961167", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961167, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ADAPALENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959965", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOBILETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959965, "molecule_chembl_id": "CHEMBL76447", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.40", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nobiletin (Hexamethoxyflavone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152868", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152868, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RESERPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154330", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.78", "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154330, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLUOPERAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16650.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153289", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153289, "molecule_chembl_id": "CHEMBL3600873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-5108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149334", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDAFENACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149334, "molecule_chembl_id": "CHEMBL53366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Imidafenacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149339", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVIBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149339, "molecule_chembl_id": "CHEMBL1689063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.25", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AVIBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154160", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154160, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149175", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149175, "molecule_chembl_id": "CHEMBL149394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fmoc-l-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147992", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147992, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NILVADIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152587", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTOSPLETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152587, "molecule_chembl_id": "CHEMBL3265032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Entospletinib (GS-9973)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961589", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961589, "molecule_chembl_id": "CHEMBL342375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.46", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XE-991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150076", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150076, "molecule_chembl_id": "CHEMBL2079588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.83", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TELATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149376", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149376, "molecule_chembl_id": "CHEMBL291157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1-Ethyl-4-oxo-7-(4-pyridyl)-1;4-dihydroquinoline-3-carboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832951", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELOTRISTAT ETIPRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832951, "molecule_chembl_id": "CHEMBL3348963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "754.17", "alogp": "4.99", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LX1606 HIPPURATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831547", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831547, "molecule_chembl_id": "CHEMBL466253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.28", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0238429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836538", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836538, "molecule_chembl_id": "CHEMBL4303274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.56", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acetyl-farnesyl-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(CSC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827205", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.14", "bao_label": "organism-based format", "molecule_pref_name": "MEQUITAZINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827205, "molecule_chembl_id": "CHEMBL73451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7280.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831671", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALROCEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831671, "molecule_chembl_id": "CHEMBL471638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VALROCEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831676", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARIBAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831676, "molecule_chembl_id": "CHEMBL515408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.24", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MARIBAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831921", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEHENIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831921, "molecule_chembl_id": "CHEMBL1173474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.59", "alogp": "7.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DOCOSANOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152352", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152352, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Aminopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153274", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINESTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153274, "molecule_chembl_id": "CHEMBL1201165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "QUINESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147292", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDROPHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147292, "molecule_chembl_id": "CHEMBL1128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDROPHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153644", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMITAPIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153644, "molecule_chembl_id": "CHEMBL354541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "693.73", "alogp": "8.38", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lomitapide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152573", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXARAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152573, "molecule_chembl_id": "CHEMBL192966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.65", "alogp": "6.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "fexaramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154053", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154053, "molecule_chembl_id": "CHEMBL2360084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.90", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zuclopenthixol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNARIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152941, "molecule_chembl_id": "CHEMBL30008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUNARIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152052", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152052, "molecule_chembl_id": "CHEMBL1256759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147850", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147850, "molecule_chembl_id": "CHEMBL361259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.45", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "McN-5652-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148694", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALIRASIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148694, "molecule_chembl_id": "CHEMBL23293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.55", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "SALIRASIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK189254", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145856, "molecule_chembl_id": "CHEMBL517140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK189254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146906", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NATAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146906, "molecule_chembl_id": "CHEMBL1200656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "665.73", "alogp": "0.12", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "natamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145523", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145523, "molecule_chembl_id": "CHEMBL1254945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.03", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ELN-441958"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145914", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDOXUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145914, "molecule_chembl_id": "CHEMBL318153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "-1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDOXUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145532", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145532, "molecule_chembl_id": "CHEMBL2028187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "879.86", "alogp": "6.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ERYTHROSINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150421", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150421, "molecule_chembl_id": "CHEMBL373250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.41", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-838417"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147924", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDAZOXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147924, "molecule_chembl_id": "CHEMBL543467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDAZOXAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152445", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152445, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148089", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148089, "molecule_chembl_id": "CHEMBL273083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.67", "alogp": "4.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-CCR2-22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153600", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153600, "molecule_chembl_id": "CHEMBL421942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.11", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WHI-P97"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152897", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHS-828", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152897, "molecule_chembl_id": "CHEMBL17289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CHS-828"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN/C(=N\\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152615", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152615, "molecule_chembl_id": "CHEMBL3770173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OF-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152974", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABRAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152974, "molecule_chembl_id": "CHEMBL2028663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DABRAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152591", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152591, "molecule_chembl_id": "CHEMBL4303340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.02", "alogp": "4.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-320"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148199", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148199, "molecule_chembl_id": "CHEMBL1421016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.46", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-152,804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148489", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148489, "molecule_chembl_id": "CHEMBL1554655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFTRinh-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148534", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIFENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148534, "molecule_chembl_id": "CHEMBL1323453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etifenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153810", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTEMETHER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153810, "molecule_chembl_id": "CHEMBL566534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artemether"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148438", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148438, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gadopentetic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148494, "molecule_chembl_id": "CHEMBL3105848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3PO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148144", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148144, "molecule_chembl_id": "CHEMBL4303411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.96", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Naphthoquine (phosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149336", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149336, "molecule_chembl_id": "CHEMBL199441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.18", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD005365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccccc2OC(F)(F)F)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152355", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152355, "molecule_chembl_id": "CHEMBL2048484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.52", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831409", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMENTHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831409, "molecule_chembl_id": "CHEMBL470670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVOMENTHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146151", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JOSAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146151, "molecule_chembl_id": "CHEMBL224436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Josamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149742", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPSAICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149742, "molecule_chembl_id": "CHEMBL294199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPSAICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145832", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145832, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150875, "molecule_chembl_id": "CHEMBL1392444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.39", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-119574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=S)N1CCCc2ccccc21)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835985", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNETANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835985, "molecule_chembl_id": "CHEMBL10188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "1786"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.007184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831134", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELACRIDAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831134, "molecule_chembl_id": "CHEMBL396298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "5.56", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ELACRIDAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836007", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAMISOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836007, "molecule_chembl_id": "CHEMBL277775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.30", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetramisole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1521", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835949", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPTIFIBATIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835949, "molecule_chembl_id": "CHEMBL1174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "831.98", "alogp": "-1.84", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "eptifibatide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836281", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYUREA", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836281, "molecule_chembl_id": "CHEMBL467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "76.05", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYCARBAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.237", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831435", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831435, "molecule_chembl_id": "CHEMBL1397643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.99", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRICHLORMETHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.ClCCN(CCCl)CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830004", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830004, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFDINIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831718", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OC000459", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831718, "molecule_chembl_id": "CHEMBL560993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OC000459"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152739", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOBOSARM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152739, "molecule_chembl_id": "CHEMBL1738889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MK-2866 (GTx-024)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153009, "molecule_chembl_id": "CHEMBL1584055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.40", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SBE-13"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153010", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153010, "molecule_chembl_id": "CHEMBL1235237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.45", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD004451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153017", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153017, "molecule_chembl_id": "CHEMBL3342401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.34", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD121254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153026", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153026, "molecule_chembl_id": "CHEMBL4303141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "809.57", "alogp": "9.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2838232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149226", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149226, "molecule_chembl_id": "CHEMBL2333944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.43", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DQP-1105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150387", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150387, "molecule_chembl_id": "CHEMBL2178657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.43", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)OCCO3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145671", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145671, "molecule_chembl_id": "CHEMBL4", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145758", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANDROSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145758, "molecule_chembl_id": "CHEMBL87285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "androsterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145680", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145680, "molecule_chembl_id": "CHEMBL577673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.99", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clobetasone-butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956170", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINERIXIBAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956170, "molecule_chembl_id": "CHEMBL2387408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GSK2330672"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956437", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFISOXAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956437, "molecule_chembl_id": "CHEMBL453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955686", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955686, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960467", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960467, "molecule_chembl_id": "CHEMBL128000", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.26", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955651", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955651, "molecule_chembl_id": "CHEMBL458875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Clevudine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959929", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXYFLURANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959929, "molecule_chembl_id": "CHEMBL1341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.97", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(2;2-Dichloro-1;1-difluoroethyl) methyl ether"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(F)(F)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956180, "molecule_chembl_id": "CHEMBL505670", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.26", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC228155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960830", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960830, "molecule_chembl_id": "CHEMBL4303177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.92", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK8745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955637", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE TRIACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955637, "molecule_chembl_id": "CHEMBL2107381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.31", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Uridine triacetate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955640", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955640, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirabegron\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960246", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960246, "molecule_chembl_id": "CHEMBL1086580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.32", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XAV-939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956269", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956269, "molecule_chembl_id": "CHEMBL488823", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.44", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CY-09"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2\\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960474", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMIODARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960474, "molecule_chembl_id": "CHEMBL1083993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "681.78", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AMIODARONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960476", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDISULAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960476, "molecule_chembl_id": "CHEMBL77517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "indisulam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956007", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956007, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rufinamide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956008", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956008, "molecule_chembl_id": "CHEMBL438605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mCyd"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960695", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960695, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955774", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FERULATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955774, "molecule_chembl_id": "CHEMBL32749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ferulic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956263", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956263, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146628", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN 23", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146628, "molecule_chembl_id": "CHEMBL76904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150775", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150775, "molecule_chembl_id": "CHEMBL20", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.25", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002554883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151136", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSI-930", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151136, "molecule_chembl_id": "CHEMBL1614710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.45", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSI-930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145976", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALIDOXIME MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145976, "molecule_chembl_id": "CHEMBL2104739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.26", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRALIDOXIME MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)[O-].C[n+]1ccccc1C=NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146561", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFLURALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146561, "molecule_chembl_id": "CHEMBL1256668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.28", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benfluralin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146043", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAXALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146043, "molecule_chembl_id": "CHEMBL1079604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METAXALONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150549", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150549, "molecule_chembl_id": "CHEMBL530149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.35", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV006767"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961032", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-8245", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961032, "molecule_chembl_id": "CHEMBL1938870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.26", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIARAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960931, "molecule_chembl_id": "CHEMBL274239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.85", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiaramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147721", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147721, "molecule_chembl_id": "CHEMBL247070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AIM-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152232", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152232, "molecule_chembl_id": "CHEMBL205627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.52", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GKA-50"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955716", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955716, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(-)-Cytisine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959984", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959984, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moclobemide (Ro 111163)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRAXETAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960163, "molecule_chembl_id": "CHEMBL1721515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "-2.45", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "gadoterate-meglumine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964183", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STRONTIUM RANELATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964183, "molecule_chembl_id": "CHEMBL3707306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.49", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Strontium Ranelate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-].[Sr+2].[Sr+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961029", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961029, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "flunarizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.028", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835919", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835919, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolutegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831048", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SISOMICIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831048, "molecule_chembl_id": "CHEMBL3989471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1385.46", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SISOMICIN (SULFATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836257", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FROVATRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836257, "molecule_chembl_id": "CHEMBL1279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "frovatriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831163, "molecule_chembl_id": "CHEMBL235658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CMPD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831427", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831427, "molecule_chembl_id": "CHEMBL460273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.46", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 1661010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836301", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836301, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IRBESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2008", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836024", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TINIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836024, "molecule_chembl_id": "CHEMBL1220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831154", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOCYSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831154, "molecule_chembl_id": "CHEMBL396416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.20", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBOCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959301", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIFLURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959301, "molecule_chembl_id": "CHEMBL1129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.20", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.569", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963457", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICYLANILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963457, "molecule_chembl_id": "CHEMBL82970", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYLSALICYLANILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960356", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MINOXIDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960356, "molecule_chembl_id": "CHEMBL802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINOXIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955586", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINDAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955586, "molecule_chembl_id": "CHEMBL1753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.99", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clindamycin hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959865", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROSPIRENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959865, "molecule_chembl_id": "CHEMBL1509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DROSPIRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955593", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955593, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pidotimod\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959020", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959020, "molecule_chembl_id": "CHEMBL4303587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Tocofersolan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.879", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959963", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959963, "molecule_chembl_id": "CHEMBL464552", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.58", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1838705A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.617", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960017", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARBUTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960017, "molecule_chembl_id": "CHEMBL232202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.25", "alogp": "-1.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Arbutin (Uva; p-Arbutin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960640", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960640, "molecule_chembl_id": "CHEMBL4303596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.41", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cc2nc1-c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960027", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FROVATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960027, "molecule_chembl_id": "CHEMBL2138684", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.41", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "frovatriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153655", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153655, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI 2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149890", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINTITRIPT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149890, "molecule_chembl_id": "CHEMBL249973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.87", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-27897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148721", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148721, "molecule_chembl_id": "CHEMBL131171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.57", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RP67580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1CC(=N)N1C[C@@H]2C(=O)CCC(c3ccccc3)(c3ccccc3)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148779", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148779, "molecule_chembl_id": "CHEMBL1374843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "648.26", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iobenguane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCc1cccc(I)c1.N=C(N)NCc1cccc(I)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148781", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIVAVOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148781, "molecule_chembl_id": "CHEMBL3979920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.39", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAK-659"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148924", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148924, "molecule_chembl_id": "CHEMBL4303186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.57", "alogp": "-1.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefoselis sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3ccc(=N)n3CCO)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148925", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148925, "molecule_chembl_id": "CHEMBL3184512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.97", "alogp": "0.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clindamycin phosphate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148626", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMOXOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148626, "molecule_chembl_id": "CHEMBL2105399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulfamoxole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959376", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959376, "molecule_chembl_id": "CHEMBL386389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CYCLOSPORINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958817", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958817, "molecule_chembl_id": "CHEMBL4303236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958426", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAMOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958426, "molecule_chembl_id": "CHEMBL177880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.38", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAMOIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958725", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXAZOSIN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958725, "molecule_chembl_id": "CHEMBL1200561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.59", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXAZOSIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.594", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959276", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959276, "molecule_chembl_id": "CHEMBL68363", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958527", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958527, "molecule_chembl_id": "CHEMBL347534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.37", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962818", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TACROLIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962818, "molecule_chembl_id": "CHEMBL269732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "804.03", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tacrolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963356", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANTROLENE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963356, "molecule_chembl_id": "CHEMBL928", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.24", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dantrolene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963140", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963140, "molecule_chembl_id": "CHEMBL3939289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "5.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ONO-8130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(S(=O)(=O)N(CC(C)C)c2cc3c(cc2OCc2ccc(C(=O)O)cc2)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958539", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958539, "molecule_chembl_id": "CHEMBL1317546", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DNA-PK inhibitor III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(N2CCOCC2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959431", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959431, "molecule_chembl_id": "CHEMBL4303463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Anidulafungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)NC4CC(O)C(O)NC(=O)C5C(O)C(C)CN5C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c5ccc(O)cc5)NC(=O)C5CC(O)CN5C(=O)C(C(C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960193", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMETHAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960193, "molecule_chembl_id": "CHEMBL446", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964495", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964495, "molecule_chembl_id": "CHEMBL3963349", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "668.67", "alogp": "0.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Z-DEVD-FMK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960815", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REMINERTANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960815, "molecule_chembl_id": "CHEMBL506981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.08", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "meclinertant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.894", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148722", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAPENTADOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148722, "molecule_chembl_id": "CHEMBL1201777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.81", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tapentadol (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149079", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMETREXOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149079, "molecule_chembl_id": "CHEMBL34412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.46", "alogp": "0.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "lometrexol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148967", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LULICONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148967, "molecule_chembl_id": "CHEMBL2105689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.29", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Luliconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153470", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAVITOCLAX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153470, "molecule_chembl_id": "CHEMBL443684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "974.63", "alogp": "8.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Navitoclax\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153477", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153477, "molecule_chembl_id": "CHEMBL310840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.35", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-265246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)c[nH]c2nncc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR DIPIVOXIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153075, "molecule_chembl_id": "CHEMBL922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.48", "alogp": "2.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Adefovir dipivoxil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961124", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961124, "molecule_chembl_id": "CHEMBL2058156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.90", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-LPA5-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.348", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961356", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961356, "molecule_chembl_id": "CHEMBL3560504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.39", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxacyclohexadecan-2-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCCCCCCCCCCCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962859", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962859, "molecule_chembl_id": "CHEMBL1092473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.87", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RANITIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C\\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961267", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARANABANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961267, "molecule_chembl_id": "CHEMBL220360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.96", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Taranabant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955668", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955668, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cinromide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955674", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORETHINDRONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955674, "molecule_chembl_id": "CHEMBL1201146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norethindrone acetate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960243", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960243, "molecule_chembl_id": "CHEMBL497608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.30", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-888 (Veliparib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.805", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955679", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-CITRULLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955679, "molecule_chembl_id": "CHEMBL444814", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "175.19", "alogp": "-1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Citrulline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959885", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOE-EMODIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959885, "molecule_chembl_id": "CHEMBL40275", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloe-emodin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960130", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URACIL MUSTARD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960130, "molecule_chembl_id": "CHEMBL1488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "uracil-mustard"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6978", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960653, "molecule_chembl_id": "CHEMBL3417243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.68", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALS-8112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963636", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DYNASORE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963636, "molecule_chembl_id": "CHEMBL1209885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.32", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dynasore"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.973", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154185", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154185, "molecule_chembl_id": "CHEMBL1241589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-5458317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccccc2)C(NC2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150161", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150161, "molecule_chembl_id": "CHEMBL2203843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.47", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT244747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147380", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMCINOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147380, "molecule_chembl_id": "CHEMBL1451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.44", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIAMCINOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151888", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIOQUINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151888, "molecule_chembl_id": "CHEMBL497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.50", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149348", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIMONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149348, "molecule_chembl_id": "CHEMBL844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.14", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BRIMONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961417", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENACETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961417, "molecule_chembl_id": "CHEMBL16073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENACETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960169", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROQUINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960169, "molecule_chembl_id": "CHEMBL537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960846", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960846, "molecule_chembl_id": "CHEMBL497802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.08", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-iodo-6-phenylpyrimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Ic1cc(-c2ccccc2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960855", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BLONANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960855, "molecule_chembl_id": "CHEMBL178803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.51", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Blonanserin (Lonasen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.707", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960941, "molecule_chembl_id": "CHEMBL1241028", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.93", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961186", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRONOPOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961186, "molecule_chembl_id": "CHEMBL1408862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.99", "alogp": "-0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRONOPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])C(Br)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956169", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956169, "molecule_chembl_id": "CHEMBL3771180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961193", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OBIDOXIME CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961193, "molecule_chembl_id": "CHEMBL291233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.21", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "obidoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960549", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960549, "molecule_chembl_id": "CHEMBL4208500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955775", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955775, "molecule_chembl_id": "CHEMBL4524847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW 58C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCC(C2=C(O)C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956543", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHYLENASTRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956543, "molecule_chembl_id": "CHEMBL394880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.40", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHYLENASTRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C2=C(C1)NC(=S)NC2c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956547", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFURESERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956547, "molecule_chembl_id": "CHEMBL2219422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFURESERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149872", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIDOLGOSIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149872, "molecule_chembl_id": "CHEMBL371197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Swainsonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H]1[C@H](O)CN2CCC[C@@H](O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149588", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149588, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bosentan Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149772", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149772, "molecule_chembl_id": "CHEMBL354676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,3-DIPHENYLUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154428", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154428, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2900.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154352", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154352, "molecule_chembl_id": "CHEMBL154745", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-deazaneplanocin A (DZNeP) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "300.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149930", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMCINONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149930, "molecule_chembl_id": "CHEMBL1200732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154434", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154434, "molecule_chembl_id": "CHEMBL10835", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "350.03", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154438", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154438, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5500.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149937", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK163090", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149937, "molecule_chembl_id": "CHEMBL1631540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.54", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK163090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154442", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154442, "molecule_chembl_id": "CHEMBL1459140", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "300.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexinhib20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5310.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149941, "molecule_chembl_id": "CHEMBL495841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-915275"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149866", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149866, "molecule_chembl_id": "CHEMBL471411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.41", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154453", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154453, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "320.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154456", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PHA-665752", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154456, "molecule_chembl_id": "CHEMBL450786", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "641.62", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PHA-665752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150245", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLECAINIDE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150245, "molecule_chembl_id": "CHEMBL1200822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flecainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145732", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETREXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145732, "molecule_chembl_id": "CHEMBL119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145794", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145794, "molecule_chembl_id": "CHEMBL3769755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.92", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MS417"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145798", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145798, "molecule_chembl_id": "CHEMBL1356775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-90709"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150423", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINOPIRDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150423, "molecule_chembl_id": "CHEMBL319111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.47", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "linopirdine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145801", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145801, "molecule_chembl_id": "CHEMBL72365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.95", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW 5074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150694", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150694, "molecule_chembl_id": "CHEMBL2106178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tromaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145802", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145802, "molecule_chembl_id": "CHEMBL1409793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chloroxoquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145806", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145806, "molecule_chembl_id": "CHEMBL260117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1292.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Micafungin (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147090", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147090, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etomidate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147092", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147092, "molecule_chembl_id": "CHEMBL143210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;4-DCPG-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151402", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151402, "molecule_chembl_id": "CHEMBL4293433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.68", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-Ras(G12C) inhibitor 12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146902", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOPROPIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146902, "molecule_chembl_id": "CHEMBL1605835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.18", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLOPROPIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151406", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIQUAFOSOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151406, "molecule_chembl_id": "CHEMBL221326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "790.31", "alogp": "-4.19", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "DIQUAFOSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147114", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147114, "molecule_chembl_id": "CHEMBL815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prostaglandin F2?"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150415", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150415, "molecule_chembl_id": "CHEMBL303004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.21", "alogp": "0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,6-Diaminohexane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150508, "molecule_chembl_id": "CHEMBL3908979", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.57", "alogp": "1.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "roblitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145867", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145867, "molecule_chembl_id": "CHEMBL4294155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.54", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150385", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUTEOLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150385, "molecule_chembl_id": "CHEMBL151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luteolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150386", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLIN G POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150386, "molecule_chembl_id": "CHEMBL1223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.49", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLIN G POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150389", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPMATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150389, "molecule_chembl_id": "CHEMBL3188267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.43", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Capmatinib (INCB28060)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151395", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFLUOREX HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151395, "molecule_chembl_id": "CHEMBL1412305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.83", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFLUOREX HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154473", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154473, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12670.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149610", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMANIROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149610, "molecule_chembl_id": "CHEMBL419792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "sumanirole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154536", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BRIVANIB ALANINATE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154536, "molecule_chembl_id": "CHEMBL270995", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Brivanib alaninate (BMS-582664)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145947", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145947, "molecule_chembl_id": "CHEMBL3216524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.44", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cutamesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960922", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROTRIANISENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960922, "molecule_chembl_id": "CHEMBL1200761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "chlorotrianisene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956315", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956315, "molecule_chembl_id": "CHEMBL3901007", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "549.42", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KML29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956322", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYFASUDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956322, "molecule_chembl_id": "CHEMBL1233300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.38", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYFASUDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956329", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956329, "molecule_chembl_id": "CHEMBL4089730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.53", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961440, "molecule_chembl_id": "CHEMBL3221237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.60", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0773"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(F)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCc5nc6cccnc6[nH]5)CC[C@H]4[C@@H]3CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956373", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956373, "molecule_chembl_id": "CHEMBL1077204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.54", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD534085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147210", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOPERIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147210, "molecule_chembl_id": "CHEMBL14376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Iloperidone (Fanapt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145544", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145544, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOCARBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961112", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961112, "molecule_chembl_id": "CHEMBL2087361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.43", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Icotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151218", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOTOLIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151218, "molecule_chembl_id": "CHEMBL3301618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.61", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MOTOLIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151230", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151230, "molecule_chembl_id": "CHEMBL1316265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.66", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OMDM-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151723", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151723, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULINDAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146895", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXIMONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146895, "molecule_chembl_id": "CHEMBL249856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "enoximone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150860", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NANDROLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150860, "molecule_chembl_id": "CHEMBL757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nandrolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145956", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIDANIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145956, "molecule_chembl_id": "CHEMBL1569545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cridanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2ccccc2c(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146184", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPENZOLATE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146184, "molecule_chembl_id": "CHEMBL1401367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPENZOLATE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147373", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147373, "molecule_chembl_id": "CHEMBL1201014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE SODIUM PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147376", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147376, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "polidocanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148136", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148136, "molecule_chembl_id": "CHEMBL4303607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.40", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H]1[C@@H](OC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148002", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148002, "molecule_chembl_id": "CHEMBL4303715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.30", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPSI-1306-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1CC(c2ccc(F)cc2F)=NO1)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148385", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148385, "molecule_chembl_id": "CHEMBL1450942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.74", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-298835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152584", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZOLOACRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152584, "molecule_chembl_id": "CHEMBL118841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.41", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pyrazoloacridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152889", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152889, "molecule_chembl_id": "CHEMBL1775179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APD668"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152954", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTERODINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152954, "molecule_chembl_id": "CHEMBL1382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.50", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tolterodine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956524", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956524, "molecule_chembl_id": "CHEMBL3342332", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "669.80", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-1155463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152150", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REV-5901", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152150, "molecule_chembl_id": "CHEMBL8747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.45", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "REV-5901 / L-655;238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961568", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961568, "molecule_chembl_id": "CHEMBL596380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.16", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MNS (3;4-Methylenedioxy-alphanitrostyrene)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956479", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW843682X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956479, "molecule_chembl_id": "CHEMBL514499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW843682X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960746", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NILUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960746, "molecule_chembl_id": "CHEMBL1274", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.22", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NILUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955983, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acitretin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964188", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964188, "molecule_chembl_id": "CHEMBL4303337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "TBOA-(DL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)[C@@H](OCc1ccccc1)C(=O)O.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964196", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICHLOROACETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964196, "molecule_chembl_id": "CHEMBL13960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "128.94", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "dichloroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959600", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOCAINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959600, "molecule_chembl_id": "CHEMBL1762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tocainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C(C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960712", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STANOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960712, "molecule_chembl_id": "CHEMBL27769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dihydrotestosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07795", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960713", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960713, "molecule_chembl_id": "CHEMBL1565882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.24", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gidazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964517", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964517, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959430", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959430, "molecule_chembl_id": "CHEMBL4303429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;6;6-trimethylbicyclo[3.1.1]heptane-2;3-diol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7407", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964519", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964519, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959976", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959976, "molecule_chembl_id": "CHEMBL591501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.56", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-03049423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956395", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALAROZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956395, "molecule_chembl_id": "CHEMBL459505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.52", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Talarozole (R enantiomer)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-833923", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961177, "molecule_chembl_id": "CHEMBL3545403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.58", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BMS-833923 (XL139)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-29.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956407", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IROSUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956407, "molecule_chembl_id": "CHEMBL286738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IROSUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "105.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960256", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960256, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dapivirine (TMC120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960536, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLANZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960783", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960783, "molecule_chembl_id": "CHEMBL559525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.81", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMN-355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1Cl)NC1c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961204", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBOCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961204, "molecule_chembl_id": "CHEMBL396416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.20", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbocysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961313", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961313, "molecule_chembl_id": "CHEMBL1363071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.29", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUN-B-8155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\c1ccccc1N)c1c(C)cc(=O)n(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961319", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961319, "molecule_chembl_id": "CHEMBL297784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-206553"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960715", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GANCICLOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960715, "molecule_chembl_id": "CHEMBL182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GANCICLOVIR HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.335", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COC(CO)CO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964504", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964504, "molecule_chembl_id": "CHEMBL1397952", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HQ-415"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959766", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXOTREMORINE METHIODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959766, "molecule_chembl_id": "CHEMBL23957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.19", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxotremorine-m"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC#CCN1CCCC1=O.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955724", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INOSITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955724, "molecule_chembl_id": "CHEMBL1222251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Inositol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960504", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEPHENTERMINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960504, "molecule_chembl_id": "CHEMBL3184799", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.61", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPHENTERMINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960508, "molecule_chembl_id": "CHEMBL4303507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.42", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "O-1918"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.915", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC)cc(C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961620", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961620, "molecule_chembl_id": "CHEMBL1775048", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oncrasin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961022", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORAMBUCIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961022, "molecule_chembl_id": "CHEMBL515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.22", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMBUCIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964192", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACRIFLAVINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964192, "molecule_chembl_id": "CHEMBL1977761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Acriflavine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956046", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANACETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956046, "molecule_chembl_id": "CHEMBL1800807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Anacetrapib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964503", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOTHIAZYL DISULFIDE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964503, "molecule_chembl_id": "CHEMBL508112", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "332.50", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZOTHIAZYL DISULFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SSc3nc4ccccc4s3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955552", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955552, "molecule_chembl_id": "CHEMBL1437649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "-0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,2-Dimethyl-2H-pyridine-3,4-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C(=O)C(=O)C=CN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961425", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961425, "molecule_chembl_id": "CHEMBL32854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cilomilast (SB-207499)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956376", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVOBRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956376, "molecule_chembl_id": "CHEMBL4072833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.52", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "evobrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962624", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962624, "molecule_chembl_id": "CHEMBL4303169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Aprepitant (MK-0869)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962625", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962625, "molecule_chembl_id": "CHEMBL152028", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPC-15199"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962626", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962626, "molecule_chembl_id": "CHEMBL216276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GP1a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962627", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETINYL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962627, "molecule_chembl_id": "CHEMBL486193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RETINYL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962634", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOHIPPURIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962634, "molecule_chembl_id": "CHEMBL463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOHIPPURIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958033", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958033, "molecule_chembl_id": "CHEMBL64780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962637", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962637, "molecule_chembl_id": "CHEMBL260829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NEFIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962643", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962643, "molecule_chembl_id": "CHEMBL4303362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.97", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Halobetasol Propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962778", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962778, "molecule_chembl_id": "CHEMBL4162576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.20", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0422288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.551", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958709", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERCIPRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958709, "molecule_chembl_id": "CHEMBL2107617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.48", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terciprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.372", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963313", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILYBIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963313, "molecule_chembl_id": "CHEMBL431701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "7, Mixture of diastereomer"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.915", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152513", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152513, "molecule_chembl_id": "CHEMBL3991932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.64", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pexmetinib (ARRY-614)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152527", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152527, "molecule_chembl_id": "CHEMBL3824089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.64", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "eCF506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961138", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACYCLOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961138, "molecule_chembl_id": "CHEMBL184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.21", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACYCLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.729", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COCCO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956475", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDETOMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956475, "molecule_chembl_id": "CHEMBL77921", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dexmedetomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(C)c2c[nH]cn2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956487", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CI-1040", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956487, "molecule_chembl_id": "CHEMBL105442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.66", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CI-1040"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956654", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956654, "molecule_chembl_id": "CHEMBL4060033", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.27", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHP099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958977", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPYLHEXEDRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958977, "molecule_chembl_id": "CHEMBL2105275", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "155.28", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propylhexedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.187", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958246", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SACCHARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958246, "molecule_chembl_id": "CHEMBL310671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.19", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SACCHARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NS(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964423", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964423, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959828", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LERSIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959828, "molecule_chembl_id": "CHEMBL571987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.36", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Lersivirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963173", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963173, "molecule_chembl_id": "CHEMBL2425486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "686.70", "alogp": "-2.23", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Secoisolariciresinol Diglucoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959950", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPRODUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959950, "molecule_chembl_id": "CHEMBL3544988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Daprodustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958519", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958519, "molecule_chembl_id": "CHEMBL567850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.39", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955798", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(D)-SERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955798, "molecule_chembl_id": "CHEMBL285123", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "105.09", "alogp": "-1.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-Serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960015", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEDATOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960015, "molecule_chembl_id": "CHEMBL592445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "615.74", "alogp": "3.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-05212384 (PKI-587)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.059", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960023", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPOXUR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960023, "molecule_chembl_id": "CHEMBL446060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPOXUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.521", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccccc1OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959470", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959470, "molecule_chembl_id": "CHEMBL255787", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A740003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959482", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959482, "molecule_chembl_id": "CHEMBL1684", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENDROFLUMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960657", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960657, "molecule_chembl_id": "CHEMBL1201109", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.51", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963619", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIROXIMEL FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963619, "molecule_chembl_id": "CHEMBL3989944", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-(2;5-Dioxopyrrolidin-1-Yl)Ethyl Methyl Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.103", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959015", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RABEPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959015, "molecule_chembl_id": "CHEMBL1200930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rabeprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958325", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1-METHYLIMIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958325, "molecule_chembl_id": "CHEMBL543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-METHYLIMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958507", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958507, "molecule_chembl_id": "CHEMBL1671971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.37", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E3 ligase Ligand 5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963809", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963809, "molecule_chembl_id": "CHEMBL4303529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.64", "alogp": "7.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YM-750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)N(Cc2ccc3c(c2)Cc2ccccc2-3)C2CCCCCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149706", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANITIOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149706, "molecule_chembl_id": "CHEMBL1380480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANITIOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150254", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEMANTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150254, "molecule_chembl_id": "CHEMBL1699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEMANTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150256", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPENTOFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150256, "molecule_chembl_id": "CHEMBL1079905", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propentofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963057", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UBIDECARENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963057, "molecule_chembl_id": "CHEMBL454801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "863.36", "alogp": "17.85", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "coenzyme-q10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963813", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STREPTOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963813, "molecule_chembl_id": "CHEMBL453087", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "679.66", "alogp": "-8.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.993", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150039", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150039, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPTOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150108", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUCITANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150108, "molecule_chembl_id": "CHEMBL2220486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.50", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LUCITANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149590", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVOSIDENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149590, "molecule_chembl_id": "CHEMBL3989958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.97", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivosidenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149594", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149594, "molecule_chembl_id": "CHEMBL14642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "559.71", "alogp": "2.96", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-470539"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149969", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149969, "molecule_chembl_id": "CHEMBL1256746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-13501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960404", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960404, "molecule_chembl_id": "CHEMBL4303351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETP-45658"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964462", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964462, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFIMOXIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959856, "molecule_chembl_id": "CHEMBL489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "afimoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964464", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEMATOXYLIN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964464, "molecule_chembl_id": "CHEMBL477197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hematoxylin (Hydroxybrazilin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964476", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964476, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlexanox\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964481", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964481, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955664", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRAZOLOACRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955664, "molecule_chembl_id": "CHEMBL118841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.41", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pyrazoloacridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959877", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959877, "molecule_chembl_id": "CHEMBL2178101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLPG0492 (R enantiomer)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959890", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2334737", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959890, "molecule_chembl_id": "CHEMBL577711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.40", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2334737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964500", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964500, "molecule_chembl_id": "CHEMBL3967196", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "375.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955623", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALSALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955623, "molecule_chembl_id": "CHEMBL154111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salsalate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1C(=O)O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955621", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955621, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etravirine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955568", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLIMBAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955568, "molecule_chembl_id": "CHEMBL1437764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.77", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Climbazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964444", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964444, "molecule_chembl_id": "CHEMBL1374426", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCN1C(=O)C=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959843", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959843, "molecule_chembl_id": "CHEMBL3233606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.17", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-19504"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(Cc2ccc(Br)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964452", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964452, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin Gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963632", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963632, "molecule_chembl_id": "CHEMBL482834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.40", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-784168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964425", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964425, "molecule_chembl_id": "CHEMBL1256915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eseroline-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959822", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959822, "molecule_chembl_id": "CHEMBL598608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.79", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK3787"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959825", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROFLUMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959825, "molecule_chembl_id": "CHEMBL193240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.21", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Roflumilast (Daxas)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963093", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOQUINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963093, "molecule_chembl_id": "CHEMBL86754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.95", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IODOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959014", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959014, "molecule_chembl_id": "CHEMBL3350262", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DCPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963588", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUTEZOLID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963588, "molecule_chembl_id": "CHEMBL288149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sutezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963620", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963620, "molecule_chembl_id": "CHEMBL423707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-D-glucopyranose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959949", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959949, "molecule_chembl_id": "CHEMBL290904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.34", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ryuvidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.366", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958219", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958219, "molecule_chembl_id": "CHEMBL3128207", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.18", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960570", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960570, "molecule_chembl_id": "CHEMBL1201139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEGESTROL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960022", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960022, "molecule_chembl_id": "CHEMBL188528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-200070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959406", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959406, "molecule_chembl_id": "CHEMBL1256808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.92", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-96365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959409", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959409, "molecule_chembl_id": "CHEMBL1362630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiaprofenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(C(=O)c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964097", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964097, "molecule_chembl_id": "CHEMBL72410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.69", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IRL-2500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154590", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154590, "molecule_chembl_id": "CHEMBL4082745", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "7.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-3903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154327", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.78", "bao_label": "organism-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154327, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TILORONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16440.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154554", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DEGARELIX", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154554, "molecule_chembl_id": "CHEMBL415606", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1632.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Degarelix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964005", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENTERMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964005, "molecule_chembl_id": "CHEMBL1200912", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.70", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phentermine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964074", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THEOPHYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964074, "molecule_chembl_id": "CHEMBL190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THEOPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2nc[nH]c2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963244", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963244, "molecule_chembl_id": "CHEMBL33227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.38", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-328437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960302", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960302, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PKC-412 (Midostaurin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959480", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959480, "molecule_chembl_id": "CHEMBL388676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.59", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Captan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959844", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959844, "molecule_chembl_id": "CHEMBL205627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.52", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GKA-50"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152800", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENETOCLAX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152800, "molecule_chembl_id": "CHEMBL3137309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "868.46", "alogp": "8.66", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Venetoclax\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152814", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEGARELIX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152814, "molecule_chembl_id": "CHEMBL415606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1632.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Degarelix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148008", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148008, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENCLONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148009, "molecule_chembl_id": "CHEMBL1256351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.64", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENCLONINE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152519", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTOCATECHUIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152519, "molecule_chembl_id": "CHEMBL37537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROTOCATECHUIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148016", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOXIQUINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148016, "molecule_chembl_id": "CHEMBL1170610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOXIQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cccc2cccnc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152371", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MLN-2480", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152371, "molecule_chembl_id": "CHEMBL3348923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.30", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961249", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961249, "molecule_chembl_id": "CHEMBL510780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.34", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-8593"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCC[C@H]2Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959290", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYPEROSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959290, "molecule_chembl_id": "CHEMBL251254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "-0.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Hyperoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.849", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963062, "molecule_chembl_id": "CHEMBL3109656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.46", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "disodium 7;7'-(carbonyldiimino)bis(4-hydroxy-2-naphthalenesulfonate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963369", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963369, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Nilotinib (AMN-107)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958462", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958462, "molecule_chembl_id": "CHEMBL1208151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 87877"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964043", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964043, "molecule_chembl_id": "CHEMBL408982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIDACLOPRID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963129, "molecule_chembl_id": "CHEMBL406819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.66", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imidacloprid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958531", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958531, "molecule_chembl_id": "CHEMBL1172665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.40", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119849"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/N=c2\\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958987", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NECROSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958987, "molecule_chembl_id": "CHEMBL195008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "necrostatin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963592", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMBELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963592, "molecule_chembl_id": "CHEMBL221137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.39", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "embelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958994", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMOROLFINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958994, "molecule_chembl_id": "CHEMBL489411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.52", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOROLFINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959261", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLIMBAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959261, "molecule_chembl_id": "CHEMBL1437764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.77", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Climbazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964099", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FINAFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964099, "molecule_chembl_id": "CHEMBL1908370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.39", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "8-cyano-1-cyclopropyl-6-fluoro-7-((4aS;7aS)-hexahydropyrrolo[3;4-b][1;4]oxazin-6(2H)-yl)-4-oxo-1;4-dihydroquinoline-3-carboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959497", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959497, "molecule_chembl_id": "CHEMBL35093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168568"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964102", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOXYCORTICOSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964102, "molecule_chembl_id": "CHEMBL1498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "desoxycortone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959504", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FINASTERIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959504, "molecule_chembl_id": "CHEMBL710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.55", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FINASTERIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-63.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXAMETHASONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959508, "molecule_chembl_id": "CHEMBL2021430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.41", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXAMETHASONE SODIUM PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964271", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.66", "bao_label": "assay format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964271, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISULFIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964272", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.62", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964272, "molecule_chembl_id": "CHEMBL1474701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INCA-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955991", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LALANOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955991, "molecule_chembl_id": "CHEMBL24530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.11", "alogp": "-1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-34.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CN(O)N=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960521", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3,5-DINITROCATECHOL (OR-486)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960521, "molecule_chembl_id": "CHEMBL168276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.11", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OR-486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960384", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENFLURIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960384, "molecule_chembl_id": "CHEMBL47050", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "523.97", "alogp": "7.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PENFLURIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963124", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963124, "molecule_chembl_id": "CHEMBL191066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.32", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHTPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2c(-c3ccccc3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963468", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPYRAMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963468, "molecule_chembl_id": "CHEMBL550011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.27", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROPYRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958362", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958362, "molecule_chembl_id": "CHEMBL507614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.19", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Amino_acid Oxidase Inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2sccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958357", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMITROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958357, "molecule_chembl_id": "CHEMBL232801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "84.08", "alogp": "-0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMITROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152935", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152935, "molecule_chembl_id": "CHEMBL402548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Danusertib (PHA-739358)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152844", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152844, "molecule_chembl_id": "CHEMBL31965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CI-1033 (Canertinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152845", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152845, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148497", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOSURAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148497, "molecule_chembl_id": "CHEMBL567303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.54", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Palosuran"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149209", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149209, "molecule_chembl_id": "CHEMBL3697701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-967079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=N\\O)/C(C)=C/c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963907", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963907, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TAMOXIFEN CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955608", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TILUDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955608, "molecule_chembl_id": "CHEMBL1350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiludronate disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960391", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960391, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963810", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+)-SECOISOLARICIRESINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963810, "molecule_chembl_id": "CHEMBL368347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.42", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "secoisolariciresinol-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.716", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958453", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958453, "molecule_chembl_id": "CHEMBL169233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.10", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "2-APB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOB(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963365", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963365, "molecule_chembl_id": "CHEMBL1405894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.01", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINCOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962834", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962834, "molecule_chembl_id": "CHEMBL4303691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "127.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Hydroxy-1H-imidazole-4-carboxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1[nH]cnc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959374", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959374, "molecule_chembl_id": "CHEMBL1417783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.99", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DILTIAZEM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.214", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959437", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959437, "molecule_chembl_id": "CHEMBL1324873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.98", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDM25N"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959232", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959232, "molecule_chembl_id": "CHEMBL4303302", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.41", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963125", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963125, "molecule_chembl_id": "CHEMBL1513845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-carboxy-4-hydroxyphenylglycine-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959440", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMEFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959440, "molecule_chembl_id": "CHEMBL1728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.81", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOMEFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963840", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZATEBRADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963840, "molecule_chembl_id": "CHEMBL543767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "493.04", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zatebradine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959752", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALFINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959752, "molecule_chembl_id": "CHEMBL2107771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "priralfinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964052", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964052, "molecule_chembl_id": "CHEMBL3605457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "3.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CPI-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960527", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960527, "molecule_chembl_id": "CHEMBL4303495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.61", "alogp": "6.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Gue-1654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955752", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORTISONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955752, "molecule_chembl_id": "CHEMBL1650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cortisone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955611", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955611, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mizoribine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962815", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MONTELUKAST SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962815, "molecule_chembl_id": "CHEMBL1200681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "608.18", "alogp": "8.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MONTELUKAST SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963282", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963282, "molecule_chembl_id": "CHEMBL508044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.99", "alogp": "4.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-NTR1-17"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152933", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGNENOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152933, "molecule_chembl_id": "CHEMBL253363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PREGNENOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148536, "molecule_chembl_id": "CHEMBL4548433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.76", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ALPHA-NAPHTHOFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(-c2ccccc2)[o+]c2c1ccc1ccccc12.[O-][Cl+3]([O-])([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153112", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153112, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149210", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149210, "molecule_chembl_id": "CHEMBL3392845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.52", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGI-6780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958004", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958004, "molecule_chembl_id": "CHEMBL1088762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.53", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958014", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958014, "molecule_chembl_id": "CHEMBL4571053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C(=O)C(=NNc2ccccc2O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957080", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY404039", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957080, "molecule_chembl_id": "CHEMBL375611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.22", "alogp": "-2.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY404039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957191", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957191, "molecule_chembl_id": "CHEMBL273807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "486.53", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS 1754"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961797", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFENAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961797, "molecule_chembl_id": "CHEMBL1413176", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFENAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956700", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956700, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "brinzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957086", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENOSINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957086, "molecule_chembl_id": "CHEMBL14249", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.18", "alogp": "-1.63", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "ATP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962327", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENTIROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962327, "molecule_chembl_id": "CHEMBL1200368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bentiromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962569", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962569, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957968", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957968, "molecule_chembl_id": "CHEMBL1975212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.29", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-phenylthieno[2,3-d]pyrimidin-4-amine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2scc(-c3ccccc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148565", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148565, "molecule_chembl_id": "CHEMBL4303700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.49", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU14813"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148567", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148567, "molecule_chembl_id": "CHEMBL2356692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.27", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nolatrexed Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150314", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NBQX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150314, "molecule_chembl_id": "CHEMBL222519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150122", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALEXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150122, "molecule_chembl_id": "CHEMBL1727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalexin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148988", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA CAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148988, "molecule_chembl_id": "CHEMBL1293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.89", "alogp": "12.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Provitamin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956653, "molecule_chembl_id": "CHEMBL3823931", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atglistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153646", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153646, "molecule_chembl_id": "CHEMBL3793424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "658.83", "alogp": "7.59", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-1331852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149145", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LICARBAZEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149145, "molecule_chembl_id": "CHEMBL1067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Licarbazepine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149254", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149254, "molecule_chembl_id": "CHEMBL1233766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-118;551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153653, "molecule_chembl_id": "CHEMBL1321988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRS 2578"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149153", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149153, "molecule_chembl_id": "CHEMBL2206278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AC710"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153156", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153156, "molecule_chembl_id": "CHEMBL2336409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.53", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGI-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959391", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFURATEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959391, "molecule_chembl_id": "CHEMBL514315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.28", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nifuratel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964069", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964069, "molecule_chembl_id": "CHEMBL1256878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzamil HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964002", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964002, "molecule_chembl_id": "CHEMBL4303340", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.02", "alogp": "4.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-320"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962939", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DYCLONINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962939, "molecule_chembl_id": "CHEMBL1200478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dyclonine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963197", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963197, "molecule_chembl_id": "CHEMBL154745", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-deazaneplanocin A (DZNeP) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.992", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958699", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYCEROL MONOLAURATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958699, "molecule_chembl_id": "CHEMBL510533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glycerol-monolaurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963306", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OTAMIXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963306, "molecule_chembl_id": "CHEMBL46618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Otamixaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959227", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CITIOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959227, "molecule_chembl_id": "CHEMBL2104457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "159.21", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CITIOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.884", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958973", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958973, "molecule_chembl_id": "CHEMBL1236027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.64", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sphingosylphosphorylcholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[P@](=O)(O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959260", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ULIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959260, "molecule_chembl_id": "CHEMBL345937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.39", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ulifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961997", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961997, "molecule_chembl_id": "CHEMBL4303280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.16", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fluorocholine chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CF)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964435", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964435, "molecule_chembl_id": "CHEMBL1188627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-202676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959944", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959944, "molecule_chembl_id": "CHEMBL16217", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-tert-butylphenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959945", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VELNEPERIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959945, "molecule_chembl_id": "CHEMBL2016681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.46", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Velneperit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959946", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAMIPEXOLE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959946, "molecule_chembl_id": "CHEMBL3182733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.27", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pramipexole dihydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146209", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANZISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146209, "molecule_chembl_id": "CHEMBL1950289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TANZISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145785", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENESTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145785, "molecule_chembl_id": "CHEMBL1018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dienestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145813", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENAZEPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145813, "molecule_chembl_id": "CHEMBL838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.50", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benazepril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145816", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145816, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BAICALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154310", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.42", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154310, "molecule_chembl_id": "CHEMBL2135651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin (Procoxacin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "380.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)O)C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154313", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154313, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149815", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOVOBIOCIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149815, "molecule_chembl_id": "CHEMBL3183453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "634.61", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NOVOBIOCIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154523", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154523, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "APITOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154320", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.76", "bao_label": "organism-based format", "molecule_pref_name": "SUCCINOBUCOL", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154320, "molecule_chembl_id": "CHEMBL83626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.93", "alogp": "9.97", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Succinobucol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149967", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VGX-1027", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149967, "molecule_chembl_id": "CHEMBL1320667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "VGX-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC1CC(c2ccccc2)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146878", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146878, "molecule_chembl_id": "CHEMBL1703636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145535", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145535, "molecule_chembl_id": "CHEMBL4552060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.30", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STK16-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)ccc3c[nH]c4nccc-4c32)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145825", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145825, "molecule_chembl_id": "CHEMBL119171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154651", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154651, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin 9 (SF 6847)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150451", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150451, "molecule_chembl_id": "CHEMBL1259058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSI-7976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145510", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145510, "molecule_chembl_id": "CHEMBL4082745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "7.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-3903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145514", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145514, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM001246655"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145515", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145515, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149689", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149689, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EMPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963785", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOXISTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963785, "molecule_chembl_id": "CHEMBL63440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloxistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959292", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959292, "molecule_chembl_id": "CHEMBL1309552", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.43", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5?-Androstenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.866", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963044", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963044, "molecule_chembl_id": "CHEMBL1233766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-118;551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963575", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963575, "molecule_chembl_id": "CHEMBL3187065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.73", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eltoprazine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1cc2c(c(N3CCNCC3)c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963164", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHTHALYLSULFACETAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963164, "molecule_chembl_id": "CHEMBL2106951", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHTHALYLSULFACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958974", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958974, "molecule_chembl_id": "CHEMBL2397093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.95", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CIQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964084", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEANDRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964084, "molecule_chembl_id": "CHEMBL4285883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "576.73", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Oleandrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959485", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIAPENEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959485, "molecule_chembl_id": "CHEMBL285347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "-1.89", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Biapenem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964438", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964438, "molecule_chembl_id": "CHEMBL1474701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INCA-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955620", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955620, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baricitinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960346", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFATHIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960346, "molecule_chembl_id": "CHEMBL437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960352", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960352, "molecule_chembl_id": "CHEMBL276140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.37", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-221284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959857", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959857, "molecule_chembl_id": "CHEMBL4303436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.76", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SULFANILATE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.997", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)O[Zn]OS(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960370, "molecule_chembl_id": "CHEMBL375126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.15", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apoptosis-activator-II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964482", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAZOXANE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964482, "molecule_chembl_id": "CHEMBL444186", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Razoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955800", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "rel-RITODRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955800, "molecule_chembl_id": "CHEMBL489553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ritodrine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960577", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960577, "molecule_chembl_id": "CHEMBL179242", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960026", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLOFENAC SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960026, "molecule_chembl_id": "CHEMBL1034", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.14", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOFENAC SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145538", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSE BENGAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145538, "molecule_chembl_id": "CHEMBL1208422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "973.67", "alogp": "9.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ROSE BENGAL SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145543", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145543, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP 242"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145699", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145699, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYCHLOROQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145702", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145702, "molecule_chembl_id": "CHEMBL4166417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.68", "alogp": "6.99", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Chlorophyllin; Chlorin E6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)C(CCC(=O)O)C3C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145711", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145711, "molecule_chembl_id": "CHEMBL4553089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.28", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-CPT8m"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145715", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145715, "molecule_chembl_id": "CHEMBL1565589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.35", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-320049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145717", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145717, "molecule_chembl_id": "CHEMBL3108827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1015.31", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AZD5582"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145723", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MABUTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145723, "molecule_chembl_id": "CHEMBL86749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.75", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mabuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145672", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145672, "molecule_chembl_id": "CHEMBL1672987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.53", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-87"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154262", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.76", "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154262, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17160.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149827", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149827, "molecule_chembl_id": "CHEMBL3188205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "908.89", "alogp": "-8.90", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NEOMYCIN TRISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149765", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149765, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZTREONAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150715", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150715, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tretazicar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145633, "molecule_chembl_id": "CHEMBL249818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butylphthalide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H]1OC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145667", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-05175157", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145667, "molecule_chembl_id": "CHEMBL3359265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-05175157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150001", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150001, "molecule_chembl_id": "CHEMBL155358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.87", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-51089"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145860", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145860, "molecule_chembl_id": "CHEMBL4303293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145748", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145748, "molecule_chembl_id": "CHEMBL4540808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JH-II-127"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1[nH]c(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2ncc(Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145724", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDREXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145724, "molecule_chembl_id": "CHEMBL1256832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydrexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CL-976", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149755, "molecule_chembl_id": "CHEMBL22373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.57", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CI-976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149758", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149758, "molecule_chembl_id": "CHEMBL1358525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154261", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154261, "molecule_chembl_id": "CHEMBL1562779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KD-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4040.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149762", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE DINITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149762, "molecule_chembl_id": "CHEMBL6622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE DINITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145761", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145761, "molecule_chembl_id": "CHEMBL227421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.83", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK-371804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959960", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASPARAGINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959960, "molecule_chembl_id": "CHEMBL58832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "132.12", "alogp": "-1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-asparagine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154625", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154625, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib (BAY 73-4506)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154280", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.42", "bao_label": "organism-based format", "molecule_pref_name": "FIRSOCOSTAT", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154280, "molecule_chembl_id": "CHEMBL3407547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.64", "alogp": "3.95", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ND-630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "380.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153314", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153314, "molecule_chembl_id": "CHEMBL3590106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.34", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ulixertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153818", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153818, "molecule_chembl_id": "CHEMBL1235786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.67", "alogp": "5.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MPS1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148861", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148861, "molecule_chembl_id": "CHEMBL1697708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.57", "alogp": "-0.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mezlocillin Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153819", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPABUCASIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153819, "molecule_chembl_id": "CHEMBL64130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Napabucasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153481", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-5045337", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153481, "molecule_chembl_id": "CHEMBL2386346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "727.80", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "RG7112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150311", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARIQUIDAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150311, "molecule_chembl_id": "CHEMBL348475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "646.74", "alogp": "6.37", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Tariquidar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150162", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150162, "molecule_chembl_id": "CHEMBL33620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.75", "alogp": "6.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-33805 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150170", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPEMIDIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150170, "molecule_chembl_id": "CHEMBL30116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.32", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPEMIDIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149711", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTAMBEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149711, "molecule_chembl_id": "CHEMBL127516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUTAMBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152140", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DODECANOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152140, "molecule_chembl_id": "CHEMBL108766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.32", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lauric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150550", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150550, "molecule_chembl_id": "CHEMBL190561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NADIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151075, "molecule_chembl_id": "CHEMBL275443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-METHYLHISTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc[nH]c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONC-201", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151941, "molecule_chembl_id": "CHEMBL4297310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ONC201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147439", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETIRIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147439, "molecule_chembl_id": "CHEMBL1607273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CETIRIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147071", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXFENICINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147071, "molecule_chembl_id": "CHEMBL1232077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.16", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxfenicine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146885", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146885, "molecule_chembl_id": "CHEMBL2086473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.35", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154283", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.36", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154283, "molecule_chembl_id": "CHEMBL1459140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexinhib20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148686", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148686, "molecule_chembl_id": "CHEMBL283053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flucloxacillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154386", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154386, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150344", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150344, "molecule_chembl_id": "CHEMBL4303659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SA-47"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)COC(=O)NCCC1CCN(c2cccc(C)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956506", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956506, "molecule_chembl_id": "CHEMBL3335793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.51", "alogp": "2.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153157", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHS-828", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153157, "molecule_chembl_id": "CHEMBL17289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CHS-828"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN/C(=N\\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956532", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956532, "molecule_chembl_id": "CHEMBL2420629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.43", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-617"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956535", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956535, "molecule_chembl_id": "CHEMBL228192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.87", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS1517499"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(NCCc2ccc(O)c(Cl)c2)nc1NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152913", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APROCITENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152913, "molecule_chembl_id": "CHEMBL2165326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.20", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Aprocitentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148408", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148408, "molecule_chembl_id": "CHEMBL441472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCTC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153055", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROTAVERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153055, "molecule_chembl_id": "CHEMBL551978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "drotaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153022", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153022, "molecule_chembl_id": "CHEMBL483158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.93", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "MLN8237 (Alisertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148564", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148564, "molecule_chembl_id": "CHEMBL3770903", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.56", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SirReal-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153483", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACALCITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153483, "molecule_chembl_id": "CHEMBL2105611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tacalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148570", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148570, "molecule_chembl_id": "CHEMBL1090467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.36", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-966492"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCN4)cc3F)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154620", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154620, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154621", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154621, "molecule_chembl_id": "CHEMBL4303151", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT4165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C1C(=Cc2cccnc2)C(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154381", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CENICRIVIROC", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154381, "molecule_chembl_id": "CHEMBL2110727", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "696.96", "alogp": "8.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CENICRIVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11730.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149075, "molecule_chembl_id": "CHEMBL508044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.99", "alogp": "4.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-NTR1-17"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153577", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIVOZANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153577, "molecule_chembl_id": "CHEMBL1289494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.87", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TIVOZANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154413", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154413, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153229", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPELENNAMINE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153229, "molecule_chembl_id": "CHEMBL1200769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.49", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIPELENNAMINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153234", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANETESPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153234, "molecule_chembl_id": "CHEMBL2103879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "6; STA9090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153236", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLOPURINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153236, "molecule_chembl_id": "CHEMBL1467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALLOPURINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2[nH][nH]cc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149188", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149188, "molecule_chembl_id": "CHEMBL60264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.36", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-258585"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149288", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149288, "molecule_chembl_id": "CHEMBL4566020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.47", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "physostigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149099", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-42165279", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149099, "molecule_chembl_id": "CHEMBL4297294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.81", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-42165279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153792", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153792, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Osimertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153798", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153798, "molecule_chembl_id": "CHEMBL388676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.59", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Captan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154368", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154368, "molecule_chembl_id": "CHEMBL4101890", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ6102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7140.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154370", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154370, "molecule_chembl_id": "CHEMBL2134545", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "427.51", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAG-956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "110.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALAGLITAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149875, "molecule_chembl_id": "CHEMBL2103991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.44", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Balaglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154378", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154378, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150228", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150228, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S1RA (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150029", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150029, "molecule_chembl_id": "CHEMBL1711169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENICILLIN V BENZATHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149986", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPAMIDE IODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149986, "molecule_chembl_id": "CHEMBL1200347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOPROPAMIDE IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146326", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146326, "molecule_chembl_id": "CHEMBL4303683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "817.79", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BIO-5192"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(C)[C@@H](CC(C)C)C(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146333", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAIDZEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146333, "molecule_chembl_id": "CHEMBL8145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "daidzein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153416", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFANILAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153416, "molecule_chembl_id": "CHEMBL21", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFANILAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148780", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLORIZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148780, "molecule_chembl_id": "CHEMBL245067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.41", "alogp": "-0.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHLORIZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153286", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153286, "molecule_chembl_id": "CHEMBL299749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.86", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-173212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153835", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOSSYPOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153835, "molecule_chembl_id": "CHEMBL51483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.56", "alogp": "6.38", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "gossypol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153424", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153424, "molecule_chembl_id": "CHEMBL1813256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Ixazomib Citrate (MLN9708)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148790", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148790, "molecule_chembl_id": "CHEMBL375312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK429286A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154592", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154592, "molecule_chembl_id": "CHEMBL2144958", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154594", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154594, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONENSIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154609", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154609, "molecule_chembl_id": "CHEMBL1301049", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "599.09", "alogp": "5.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PB49673382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149812", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXMEDETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149812, "molecule_chembl_id": "CHEMBL2106195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexmedetomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAXENTAN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148633, "molecule_chembl_id": "CHEMBL2105740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.90", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sitaxsentan (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153540", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153540, "molecule_chembl_id": "CHEMBL3590107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.69", "alogp": "3.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCH772984"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149721", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149721, "molecule_chembl_id": "CHEMBL201039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.42", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-353013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(N/C(S)=N/CCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153544", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153544, "molecule_chembl_id": "CHEMBL1096283", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Walrycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153330", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153330, "molecule_chembl_id": "CHEMBL112715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.48", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145931, "molecule_chembl_id": "CHEMBL254316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.42", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RALTEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149177, "molecule_chembl_id": "CHEMBL1194993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.36", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119905"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150532", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150532, "molecule_chembl_id": "CHEMBL81379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "5.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Retinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153347", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153347, "molecule_chembl_id": "CHEMBL3184132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.40", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149792", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTISONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149792, "molecule_chembl_id": "CHEMBL1650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cortisone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154297", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.30", "bao_label": "organism-based format", "molecule_pref_name": "PHA-665752", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154297, "molecule_chembl_id": "CHEMBL450786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "641.62", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PHA-665752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4970.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154582", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154582, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib (AB1010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148733", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVOXAMINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148733, "molecule_chembl_id": "CHEMBL1409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUVOXAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153241", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-7420", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153241, "molecule_chembl_id": "CHEMBL3330650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.22", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153172", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153172, "molecule_chembl_id": "CHEMBL356066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dacinostat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148668", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVADOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148668, "molecule_chembl_id": "CHEMBL13178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.47", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pravadoline\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE IIA SULFONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153180, "molecule_chembl_id": "CHEMBL1473252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "sodium-tanshinone-ii-a-sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148679", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAZOCHROME SODIUM SULFONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148679, "molecule_chembl_id": "CHEMBL2104065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.28", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbazochrome sodium sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2=CC(=O)/C(=N\\NC(N)=O)C=C2CC1S(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956589", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956589, "molecule_chembl_id": "CHEMBL3770443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.97", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "G-5555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "111.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956596", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956596, "molecule_chembl_id": "CHEMBL567341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV676881"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(C#N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956601", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956601, "molecule_chembl_id": "CHEMBL4061483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "6.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SW033291"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961123", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFACHLORPYRIDAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961123, "molecule_chembl_id": "CHEMBL1443577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.73", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFACHLORPYRIDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150315", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPICAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150315, "molecule_chembl_id": "CHEMBL1089318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.17", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Opicapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153086", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENDILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153086, "molecule_chembl_id": "CHEMBL254832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.46", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "fendiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956514", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956514, "molecule_chembl_id": "CHEMBL3108909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.60", "alogp": "5.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SH-4-54"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147122", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147122, "molecule_chembl_id": "CHEMBL65892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG14361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENIPIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149129, "molecule_chembl_id": "CHEMBL459016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genipin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTETROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151755, "molecule_chembl_id": "CHEMBL1230314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "estetrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150467", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150467, "molecule_chembl_id": "CHEMBL2058533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TUG-891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153543", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APILIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153543, "molecule_chembl_id": "CHEMBL4297643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Apilimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146319", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALIPERIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146319, "molecule_chembl_id": "CHEMBL1621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALIPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148832", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOPROSTENOL SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148832, "molecule_chembl_id": "CHEMBL962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prostaglandin I2\u00c2\u00a0sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\\CCCC(=O)[O-])C[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150525", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UFENAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150525, "molecule_chembl_id": "CHEMBL2105605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ufenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146212", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-316233", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146212, "molecule_chembl_id": "CHEMBL266487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bisindolylmaleimide IV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146213", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146213, "molecule_chembl_id": "CHEMBL4559687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "medroxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154279", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154279, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150114", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPIDEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150114, "molecule_chembl_id": "CHEMBL54349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.34", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Alpidem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150664", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150664, "molecule_chembl_id": "CHEMBL593013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.57", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BINA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150468", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150468, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cantharidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149140", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDOXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149140, "molecule_chembl_id": "CHEMBL1269025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.07", "alogp": "1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "EDOXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153210", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONESIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153210, "molecule_chembl_id": "CHEMBL1096146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.98", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PONESIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152126", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILEUTON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152126, "molecule_chembl_id": "CHEMBL93", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zileuton\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153450", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEANONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153450, "molecule_chembl_id": "CHEMBL470029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.70", "alogp": "7.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEANONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836025", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOTROPIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836025, "molecule_chembl_id": "CHEMBL1900528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.52", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiotropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830868", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLMETHYLSULFONYLFLUORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830868, "molecule_chembl_id": "CHEMBL190503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PMSF (PHENYLMETHYLSULFONYL FLUORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(F)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835925", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DRONEDARONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835925, "molecule_chembl_id": "CHEMBL184412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.77", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831004", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831004, "molecule_chembl_id": "CHEMBL415049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.55", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Barasertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832046", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE MAGNESIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832046, "molecule_chembl_id": "CHEMBL2146133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.14", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESOMEPRAZOLE MAGNESIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836173", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINESTROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836173, "molecule_chembl_id": "CHEMBL1201165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "quinestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3887", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961667", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961667, "molecule_chembl_id": "CHEMBL4303553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.55", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TU-2100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962604", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962604, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHTHALYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153325", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153325, "molecule_chembl_id": "CHEMBL1778663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.47", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-A-2317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(C)c(C#N)c(N[C@@H](C)CCCC(C)(C)O)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145942", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROMOLYN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145942, "molecule_chembl_id": "CHEMBL428880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.37", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cromoglicic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUORESCEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154177, "molecule_chembl_id": "CHEMBL177756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154244", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154244, "molecule_chembl_id": "CHEMBL2363137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH-535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145494, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149748", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149748, "molecule_chembl_id": "CHEMBL1256776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS1845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145836", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDROXYPROGESTERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145836, "molecule_chembl_id": "CHEMBL717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEDROXYPROGESTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149753", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149753, "molecule_chembl_id": "CHEMBL3648328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD6738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147362", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROSTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147362, "molecule_chembl_id": "CHEMBL548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dinoprostone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153384", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROSPIRENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153384, "molecule_chembl_id": "CHEMBL1509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1,2-Dihydrospirorenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHROMAFENOZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147941, "molecule_chembl_id": "CHEMBL227020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHROMAFENOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152420", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152420, "molecule_chembl_id": "CHEMBL2140523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.56", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148252", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148252, "molecule_chembl_id": "CHEMBL128000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.26", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149303", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-FELODIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149303, "molecule_chembl_id": "CHEMBL428768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FELODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149311", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149311, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clevidipine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153832", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153832, "molecule_chembl_id": "CHEMBL257991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.57", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT1720 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148429", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOPHYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148429, "molecule_chembl_id": "CHEMBL190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THEOPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2nc[nH]c2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152431", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152431, "molecule_chembl_id": "CHEMBL4303322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.51", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-983970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958505", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958505, "molecule_chembl_id": "CHEMBL340785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.28", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963295", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETINAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963295, "molecule_chembl_id": "CHEMBL81379", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "5.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "all trans Retinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958886", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958886, "molecule_chembl_id": "CHEMBL493076", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.37", "alogp": "3.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958701", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958701, "molecule_chembl_id": "CHEMBL1900758", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.88", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GRANISETRON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963494", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963494, "molecule_chembl_id": "CHEMBL4303194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-268712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3cnn(CCO)c3)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962601", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TORCETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962601, "molecule_chembl_id": "CHEMBL479527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "600.48", "alogp": "8.20", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Torcetrapib (CP-529414)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.599", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956698", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956698, "molecule_chembl_id": "CHEMBL1173655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AFATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962610", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962610, "molecule_chembl_id": "CHEMBL1604618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.36", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML167"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.508", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149335", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOSCAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149335, "molecule_chembl_id": "CHEMBL364713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.43", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Narcosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147858", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147858, "molecule_chembl_id": "CHEMBL595583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.62", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHT-427"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145668", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145668, "molecule_chembl_id": "CHEMBL354261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccccc1O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152039", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYL ALCOHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152039, "molecule_chembl_id": "CHEMBL280802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYL ALCOHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148284", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148284, "molecule_chembl_id": "CHEMBL193482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149205", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149205, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILODOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148532", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALCETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148532, "molecule_chembl_id": "CHEMBL313006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.61", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Dalcetrapib\u00c2\u00a3\u00c2\u00a8JTT-705\u00c2\u00a3\u00c2\u00a9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151853", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151853, "molecule_chembl_id": "CHEMBL2325697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153372", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153372, "molecule_chembl_id": "CHEMBL1096842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.48", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pranidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152036", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152036, "molecule_chembl_id": "CHEMBL1233638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.09", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-iodo-L-phenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1ccc(I)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145765", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145765, "molecule_chembl_id": "CHEMBL3188657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.64", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0812 (Succinate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150708", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOPYRAMIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150708, "molecule_chembl_id": "CHEMBL1201020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISOPYRAMIDE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151788", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIZANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151788, "molecule_chembl_id": "CHEMBL1200329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.18", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002548961"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151864", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOSAPRIDE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151864, "molecule_chembl_id": "CHEMBL1733174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.02", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mosapride citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145833", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145833, "molecule_chembl_id": "CHEMBL505308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.23", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153498", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153498, "molecule_chembl_id": "CHEMBL263730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1101.28", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Echinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154231", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.44", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154231, "molecule_chembl_id": "CHEMBL374632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coumarin 7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145570", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145570, "molecule_chembl_id": "CHEMBL3770459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.57", "alogp": "5.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ITI214"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145662", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSEMOZOTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145662, "molecule_chembl_id": "CHEMBL1742408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "osemozotan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151976", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151976, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151983, "molecule_chembl_id": "CHEMBL3104250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.91", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SP2509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150416", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150416, "molecule_chembl_id": "CHEMBL415049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.55", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "AZD1152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961487", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961487, "molecule_chembl_id": "CHEMBL1825141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(S)-crizotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961337", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYROMAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961337, "molecule_chembl_id": "CHEMBL1231107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.19", "alogp": "-0.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYROMAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(NC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147510", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY2979165", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147510, "molecule_chembl_id": "CHEMBL3544939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 1, "image_file": "smallMolecule.svg", "compound_key": "LY2979165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152082", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152082, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "CANDESARTAN CILEXETIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152870", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152870, "molecule_chembl_id": "CHEMBL3545432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958429", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENETHYLBORONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958429, "molecule_chembl_id": "CHEMBL20461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.99", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PHENETHYLBORONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958838", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958838, "molecule_chembl_id": "CHEMBL1624767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.29", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMPS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CC(S)CS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958723", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MABUTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958723, "molecule_chembl_id": "CHEMBL86749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.75", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mabuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958733", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958733, "molecule_chembl_id": "CHEMBL288542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.24", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-14-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963342", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963342, "molecule_chembl_id": "CHEMBL600764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.80", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-348"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958526", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958526, "molecule_chembl_id": "CHEMBL473314", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.38", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-331448"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963891", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERPIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963891, "molecule_chembl_id": "CHEMBL1651998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.27", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERPENE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(O)CCC(C(C)(C)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963063", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963063, "molecule_chembl_id": "CHEMBL4303278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.37", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anthranilic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151855", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-793887", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151855, "molecule_chembl_id": "CHEMBL1230607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.49", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PHA-793887"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152174", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152174, "molecule_chembl_id": "CHEMBL67934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TESTOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152175", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152175, "molecule_chembl_id": "CHEMBL310840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.35", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-265246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)c[nH]c2nncc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152181", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMATROBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152181, "molecule_chembl_id": "CHEMBL361812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RAMATROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147677", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147677, "molecule_chembl_id": "CHEMBL2046669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.12", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-110381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)nc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152187", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILDENAFIL CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152187, "molecule_chembl_id": "CHEMBL1737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "666.71", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILDENAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152198", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASIATIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152198, "molecule_chembl_id": "CHEMBL404313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.71", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Asiatic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOPAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147983, "molecule_chembl_id": "CHEMBL59", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.18", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOPAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147697", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPENEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147697, "molecule_chembl_id": "CHEMBL148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.35", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imipenem Monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152663", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152663, "molecule_chembl_id": "CHEMBL1255658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.25", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Hydroxydecanoate . sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(O)CCCC(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148161", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148161, "molecule_chembl_id": "CHEMBL1464269", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.72", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119468"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152672", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METITEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152672, "molecule_chembl_id": "CHEMBL93240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.56", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHIOTHEPIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148173", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148173, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mizoribine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148084", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148084, "molecule_chembl_id": "CHEMBL484736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=N\\NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151999", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151999, "molecule_chembl_id": "CHEMBL1319741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.26", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dihydro-?-erythroidine\u00c2\u00b7HBr"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152003", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152003, "molecule_chembl_id": "CHEMBL509846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1085.16", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Plicamycin (Mithramycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147305", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147305, "molecule_chembl_id": "CHEMBL14", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.65", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBACHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152288", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152288, "molecule_chembl_id": "CHEMBL4303505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.30", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pterostilbene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147736", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147736, "molecule_chembl_id": "CHEMBL375596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-412997"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148180", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148180, "molecule_chembl_id": "CHEMBL507327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cgs-9896"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2c[nH]c3ccccc3c-2nn1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148187", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARCTIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148187, "molecule_chembl_id": "CHEMBL435734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "arctigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148193", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148193, "molecule_chembl_id": "CHEMBL1200851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.29", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HOMATROPINE METHYLBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147806", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147806, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147807", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYLCURCUMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147807, "molecule_chembl_id": "CHEMBL128748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.44", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dimethylcurcumin; ASC-J9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152313", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152313, "molecule_chembl_id": "CHEMBL429298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.83", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152317", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152317, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961006", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETOTIFEN FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961006, "molecule_chembl_id": "CHEMBL1633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOTIFEN FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149991", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOXALINE1", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149991, "molecule_chembl_id": "CHEMBL259389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.19", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CDK1-5-inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nc3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149916", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149916, "molecule_chembl_id": "CHEMBL4303603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.35", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PK-44 phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1n[nH]c2c(F)c(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146194", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NECROSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146194, "molecule_chembl_id": "CHEMBL195008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "necrostatin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956142", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956142, "molecule_chembl_id": "CHEMBL3688339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.43", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTSSP167"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961480", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961480, "molecule_chembl_id": "CHEMBL226838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-505124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146138", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERGOSTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146138, "molecule_chembl_id": "CHEMBL1232562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.66", "alogp": "7.33", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ergosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150015", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMATINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150015, "molecule_chembl_id": "CHEMBL4283683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "4SC-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154517", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154517, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.38", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150026", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150026, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDELALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956182", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REVEFENACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956182, "molecule_chembl_id": "CHEMBL3833319", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "597.76", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REVEFENACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960877", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960877, "molecule_chembl_id": "CHEMBL4303222", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.62", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PDP-EA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.835", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956103", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LADARIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956103, "molecule_chembl_id": "CHEMBL189475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.35", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ladarixin sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961316", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961316, "molecule_chembl_id": "CHEMBL509846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1085.16", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Plicamycin (Mithramycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956024", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956024, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-117.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956550", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956550, "molecule_chembl_id": "CHEMBL3814752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.46", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-637"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961219", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TICRYNAFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961219, "molecule_chembl_id": "CHEMBL267744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.18", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tienilic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.183", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961166", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYTARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961166, "molecule_chembl_id": "CHEMBL803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYTARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960315", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARDENAFIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960315, "molecule_chembl_id": "CHEMBL1339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.08", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARDENAFIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961264", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961264, "molecule_chembl_id": "CHEMBL3182014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.92", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bunazosin Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153960", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153960, "molecule_chembl_id": "CHEMBL50588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.65", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149462", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-232", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149462, "molecule_chembl_id": "CHEMBL3125702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.56", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "AMG 232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149605", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDOSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149605, "molecule_chembl_id": "CHEMBL1697744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dithiosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSCC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154439", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FIRSOCOSTAT", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154439, "molecule_chembl_id": "CHEMBL3407547", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "569.64", "alogp": "3.95", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ND-630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "110.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149860", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORNIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149860, "molecule_chembl_id": "CHEMBL1449676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.63", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ORNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152224", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZACYCLONOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152224, "molecule_chembl_id": "CHEMBL127508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.37", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azacyclonol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150258", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150258, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153887", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARDOXOLONE METHYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153887, "molecule_chembl_id": "CHEMBL1762621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.70", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Bardoxolone Methyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153849", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACTINOMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153849, "molecule_chembl_id": "CHEMBL1554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1255.44", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DACTINOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153309", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153309, "molecule_chembl_id": "CHEMBL310871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.68", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMP 777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153680", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153680, "molecule_chembl_id": "CHEMBL3901007", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "549.42", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KML29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153932", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153932, "molecule_chembl_id": "CHEMBL1336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.83", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sorafenib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153939", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT 737", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153939, "molecule_chembl_id": "CHEMBL376408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.45", "alogp": "7.88", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ABT-737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147673", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147673, "molecule_chembl_id": "CHEMBL444449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.37", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147969", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICORANDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147969, "molecule_chembl_id": "CHEMBL284906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.18", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICORANDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO[N+](=O)[O-])c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147489", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCARBAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147489, "molecule_chembl_id": "CHEMBL1200410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "1.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCARBAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNNCc1ccc(C(=O)NC(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154163, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149624", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149624, "molecule_chembl_id": "CHEMBL216097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.30", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-44408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1c2ccccc2CN1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147817", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147817, "molecule_chembl_id": "CHEMBL3990456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.49", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-477736"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c(=O)[nH]ncc2c34)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149856, "molecule_chembl_id": "CHEMBL3187065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.73", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eltoprazine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1cc2c(c(N3CCNCC3)c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-7762", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152750, "molecule_chembl_id": "CHEMBL2041933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-7762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149660", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLESOXIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149660, "molecule_chembl_id": "CHEMBL3545254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.66", "alogp": "7.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Olesoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154628", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154628, "molecule_chembl_id": "CHEMBL2135651", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin (Procoxacin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)O)C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149437", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149437, "molecule_chembl_id": "CHEMBL323612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-471474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153941", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153941, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amsacrine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149739", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZM-241385", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149739, "molecule_chembl_id": "CHEMBL113142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-241385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149830", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIVELESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149830, "molecule_chembl_id": "CHEMBL76688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SIVELESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147508, "molecule_chembl_id": "CHEMBL85251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.91", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-67333"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149644", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGLUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149644, "molecule_chembl_id": "CHEMBL1029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.28", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "miglustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152338", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152338, "molecule_chembl_id": "CHEMBL1357356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.55", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROSUVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C(O)CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148353", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCURONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148353, "molecule_chembl_id": "CHEMBL3188339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "737.82", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "alcuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\\CO)C2)[C@H]54)[C@@H]69.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154236", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.68", "bao_label": "organism-based format", "molecule_pref_name": "DEGARELIX", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154236, "molecule_chembl_id": "CHEMBL415606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1632.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Degarelix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20650.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154268", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.88", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154268, "molecule_chembl_id": "CHEMBL412099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.82", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MF63"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13290.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3ccccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153879", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153879, "molecule_chembl_id": "CHEMBL3769507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.56", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BRD9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151811", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIROFIBAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151811, "molecule_chembl_id": "CHEMBL3189072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.08", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tirofiban_HCL monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151515", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FR-122047", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151515, "molecule_chembl_id": "CHEMBL275809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR-122047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147555", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147555, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flurbiprofen-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152485", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152485, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ADAPALENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147821", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUTAMOREN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147821, "molecule_chembl_id": "CHEMBL13817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ibutamoren"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149453", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149453, "molecule_chembl_id": "CHEMBL4303708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.42", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Zaurategrast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153958", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153958, "molecule_chembl_id": "CHEMBL1256915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eseroline-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153381", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153381, "molecule_chembl_id": "CHEMBL1229592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.98", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147958", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORDEFRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147958, "molecule_chembl_id": "CHEMBL677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVONORDEFRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152474", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152474, "molecule_chembl_id": "CHEMBL168067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.44", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147488", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-650394", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147488, "molecule_chembl_id": "CHEMBL558642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK650394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147708", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147708, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148272", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148272, "molecule_chembl_id": "CHEMBL3609326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.40", "alogp": "5.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152254", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152254, "molecule_chembl_id": "CHEMBL261454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-364947"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147749", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147749, "molecule_chembl_id": "CHEMBL1498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "deoxycorticosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152659", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152659, "molecule_chembl_id": "CHEMBL4303536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "-0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Scopine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152787", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRAPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152787, "molecule_chembl_id": "CHEMBL1094636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niraparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152264", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152264, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Quiflapon Sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152855", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORDYCEPIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152855, "molecule_chembl_id": "CHEMBL305686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.25", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "3'-Deoxyadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-5190457", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150129, "molecule_chembl_id": "CHEMBL3287218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.68", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-05190457"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4cn5cc(C)sc5n4)CC3)C2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148366", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148366, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "dextrothyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149650", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149650, "molecule_chembl_id": "CHEMBL412437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.63", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Diosgenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152168", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMBUTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152168, "molecule_chembl_id": "CHEMBL44884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.31", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethambutol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956236", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956236, "molecule_chembl_id": "CHEMBL4071864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.40", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2982772"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154577", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154577, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961020", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BGT-226", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961020, "molecule_chembl_id": "CHEMBL3545096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "650.61", "alogp": "4.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NVP-BGT226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150111", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150111, "molecule_chembl_id": "CHEMBL3559801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tBPC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(OC2CCCCC2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150730", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150730, "molecule_chembl_id": "CHEMBL152028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPC-15199"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150958", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150958, "molecule_chembl_id": "CHEMBL1255966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-hydroxy-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCCN(CCC)C1CCc2ccc(O)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150422", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENKEPHALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150422, "molecule_chembl_id": "CHEMBL8234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.63", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Leu-Enkephalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150184", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150184, "molecule_chembl_id": "CHEMBL1521361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.89", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SF-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NC1CCCCC1N1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150688", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLISTIMETHATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150688, "molecule_chembl_id": "CHEMBL1201441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 4, "image_file": "smallMolecule.svg", "compound_key": "COLISTIMETHATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146994", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCYTOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146994, "molecule_chembl_id": "CHEMBL1463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.09", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUCYTOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1[nH]c(=O)ncc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154288", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.42", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154288, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU7441(KU-57788)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3790.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154597", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154597, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145563", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145563, "molecule_chembl_id": "CHEMBL3967196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145597", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOPRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145597, "molecule_chembl_id": "CHEMBL264373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoprine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154346", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.03", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154346, "molecule_chembl_id": "CHEMBL583194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.60", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9430.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154430", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MGCD-265", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154430, "molecule_chembl_id": "CHEMBL254760", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "517.61", "alogp": "5.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MGCD-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "640.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149946", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIZARTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149946, "molecule_chembl_id": "CHEMBL576982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.68", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Quizartinib (AC220)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154451", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154451, "molecule_chembl_id": "CHEMBL29197", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "360.21", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13160.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153509", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-173074", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153509, "molecule_chembl_id": "CHEMBL189584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.68", "alogp": "5.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD173074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149735", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARPOGRELATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149735, "molecule_chembl_id": "CHEMBL52939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Sarpogrelate (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149671", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGMATINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149671, "molecule_chembl_id": "CHEMBL1256618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.27", "alogp": "-1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Agmatine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCCN.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148368", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148368, "molecule_chembl_id": "CHEMBL4574601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "3.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PI3K??IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)cc(F)cc23)cc1NS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154641", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THALICARPINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154641, "molecule_chembl_id": "CHEMBL507100", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "696.84", "alogp": "7.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thaliblastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.53", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149828", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149828, "molecule_chembl_id": "CHEMBL1200820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.55", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIPERACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149332", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149332, "molecule_chembl_id": "CHEMBL4303584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.87", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149338", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149338, "molecule_chembl_id": "CHEMBL406703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.46", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS601245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152212", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152212, "molecule_chembl_id": "CHEMBL568150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.27", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-605240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147755", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147755, "molecule_chembl_id": "CHEMBL43383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.63", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AQ-RA741"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147761", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147761, "molecule_chembl_id": "CHEMBL4303633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Z-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147490", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIDIAZURON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147490, "molecule_chembl_id": "CHEMBL505661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.26", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIDIAZURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1cnns1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145548", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAZEPAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145548, "molecule_chembl_id": "CHEMBL12", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.75", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145654", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145654, "molecule_chembl_id": "CHEMBL4101890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ6102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147663", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147663, "molecule_chembl_id": "CHEMBL254381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-74654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149561", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149561, "molecule_chembl_id": "CHEMBL4593961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "methionine benzimidazole 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)c(C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149638", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149638, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olcegepant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154143", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154143, "molecule_chembl_id": "CHEMBL477923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Parthenolide ((-)-Parthenolide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\\CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149642", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149642, "molecule_chembl_id": "CHEMBL331465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMH4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153948", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LMP-744", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153948, "molecule_chembl_id": "CHEMBL126159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MJ-III65"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147483", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147483, "molecule_chembl_id": "CHEMBL1165368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMAB-anabaseine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\CCCN=C2c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152219", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152219, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAL-101 (GS-1101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152653, "molecule_chembl_id": "CHEMBL1269202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.58", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151998", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151998, "molecule_chembl_id": "CHEMBL46469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTHRALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2Cc2cccc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152013", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152013, "molecule_chembl_id": "CHEMBL3341861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.89", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSNCBAM-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152091", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152091, "molecule_chembl_id": "CHEMBL149394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fmoc-l-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152463", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CONIVAPTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152463, "molecule_chembl_id": "CHEMBL1201108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.05", "alogp": "6.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Conivaptan HCl (Vaprisol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152466", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERASTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152466, "molecule_chembl_id": "CHEMBL401989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.06", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ERASTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152192", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152192, "molecule_chembl_id": "CHEMBL1672354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.38", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-5046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147819", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACESULFAME POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147819, "molecule_chembl_id": "CHEMBL1351474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.24", "alogp": "-0.72", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ACESULFAME POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151819", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAPROTILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151819, "molecule_chembl_id": "CHEMBL1237135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MAPROTILINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147556", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147556, "molecule_chembl_id": "CHEMBL4303698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-57444"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152064", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152064, "molecule_chembl_id": "CHEMBL1200701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152065", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152065, "molecule_chembl_id": "CHEMBL1543306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.62", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SF-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147560", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPECITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147560, "molecule_chembl_id": "CHEMBL1773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Capecitabine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152066", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152066, "molecule_chembl_id": "CHEMBL1772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-hydroxyphenylacetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147468", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLSULPHONATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147468, "molecule_chembl_id": "CHEMBL3989534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.19", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Phenolsulfonic_acid; sodium salt dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O.O=S(=O)([O-])c1ccc(O)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962495", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYSTILBAMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962495, "molecule_chembl_id": "CHEMBL1301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxystilbamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.456", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958710", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958710, "molecule_chembl_id": "CHEMBL1650469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.12", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Fluoro-DL-glutamic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.477", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C[C@@H](F)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957880", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ITACITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957880, "molecule_chembl_id": "CHEMBL3622820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.52", "alogp": "3.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "itacitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962482", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENOFOVIR DISOPROXIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962482, "molecule_chembl_id": "CHEMBL1538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.45", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tenofovir Disoproxil Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956586", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956586, "molecule_chembl_id": "CHEMBL3094448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.33", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mirk-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc2cc(C(=O)Nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961364", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961364, "molecule_chembl_id": "CHEMBL2062804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.58", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEP33779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961366", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961366, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mifepristone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148117", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148117, "molecule_chembl_id": "CHEMBL1490875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.06", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "imetit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.N=C(N)SCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147407", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147407, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BREFELDIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148121", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148121, "molecule_chembl_id": "CHEMBL1464276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OAC2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148297", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148297, "molecule_chembl_id": "CHEMBL283800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Creatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152801", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152801, "molecule_chembl_id": "CHEMBL3183531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148064", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLCARBAMAZINE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148064, "molecule_chembl_id": "CHEMBL937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLCARBAMAZINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147259", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVOSENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147259, "molecule_chembl_id": "CHEMBL3989834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.52", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Avosentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148318", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMFENAC SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148318, "molecule_chembl_id": "CHEMBL435759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.25", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amfenac Sodium (monohydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152575", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELEXIPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152575, "molecule_chembl_id": "CHEMBL238804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.63", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Selexipag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148072", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148072, "molecule_chembl_id": "CHEMBL1258950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GS-9851"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152830", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152830, "molecule_chembl_id": "CHEMBL4303523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.00", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150615", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150615, "molecule_chembl_id": "CHEMBL1257128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.53", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lisuride maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148125", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLEDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148125, "molecule_chembl_id": "CHEMBL924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.09", "alogp": "-1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zoledronic_acid (Zoledronate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152631", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152631, "molecule_chembl_id": "CHEMBL2177161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.53", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147006", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147006, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151509", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUS-131", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151509, "molecule_chembl_id": "CHEMBL198877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Equol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152633, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146129", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-12177", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146129, "molecule_chembl_id": "CHEMBL420746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-12177"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146133", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146133, "molecule_chembl_id": "CHEMBL231616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.25", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1ncccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961381", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXPRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961381, "molecule_chembl_id": "CHEMBL2107003", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.58", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RU-28318"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150790", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALOTHIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150790, "molecule_chembl_id": "CHEMBL617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cephalothin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146242", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146242, "molecule_chembl_id": "CHEMBL1256874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.50", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151105", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151105, "molecule_chembl_id": "CHEMBL25230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.61", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-373U86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147660", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147660, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azelaic_acid\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956602", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MERESTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956602, "molecule_chembl_id": "CHEMBL3545307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.54", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "MERESTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148046", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAFINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148046, "molecule_chembl_id": "CHEMBL396778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAFINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148048", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1-METHYLIMIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148048, "molecule_chembl_id": "CHEMBL543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-METHYLIMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148049", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMPERIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148049, "molecule_chembl_id": "CHEMBL219916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOMPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146164", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANADATE ION", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146164, "molecule_chembl_id": "CHEMBL1163564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.94", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Sodium orthovanadate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151750", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151750, "molecule_chembl_id": "CHEMBL169046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.66", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "25-hydroxycholesterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151790", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151790, "molecule_chembl_id": "CHEMBL484928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL 50481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151794", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151794, "molecule_chembl_id": "CHEMBL3039602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.30", "alogp": "-5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Lactobionic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152967", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLIBANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152967, "molecule_chembl_id": "CHEMBL231068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLIBANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151018", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARDENAFIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151018, "molecule_chembl_id": "CHEMBL1520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARDENAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152119", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIUM GLUCEPTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152119, "molecule_chembl_id": "CHEMBL1237066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.42", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CALCIUM GLUCEPTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145933", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMIDIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145933, "molecule_chembl_id": "CHEMBL284328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.32", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146354", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSTHOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146354, "molecule_chembl_id": "CHEMBL52229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Osthole (Osthol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2ccc(=O)oc2c1CC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152145", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152145, "molecule_chembl_id": "CHEMBL3116252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "597.67", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dofequidar (fumarate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152820", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMCAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152820, "molecule_chembl_id": "CHEMBL2362766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.39", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152094", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152094, "molecule_chembl_id": "CHEMBL2182052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.50", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147590", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147590, "molecule_chembl_id": "CHEMBL3338326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "emoxipin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147607", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCRALFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147607, "molecule_chembl_id": "CHEMBL2367706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "2072.71", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SUCRALFATE [5mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145604", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145604, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "forskolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145598", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145598, "molecule_chembl_id": "CHEMBL62444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.62", "alogp": "6.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GRA-Ex-25"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147506", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147506, "molecule_chembl_id": "CHEMBL1390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Medroxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146206", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146206, "molecule_chembl_id": "CHEMBL4238186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TFC-007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)c1cnc(Oc2ccccc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151485", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151485, "molecule_chembl_id": "CHEMBL66114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.11", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-39604"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153845", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRIFLAVINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153845, "molecule_chembl_id": "CHEMBL1977761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Acriflavine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961623", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961623, "molecule_chembl_id": "CHEMBL4303630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.64", "alogp": "2.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Geldanamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C/C=C(\\C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153768", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153768, "molecule_chembl_id": "CHEMBL4303205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.43", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT-031374"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962484", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962484, "molecule_chembl_id": "CHEMBL1345690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NQDI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958215", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALINAZID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958215, "molecule_chembl_id": "CHEMBL201761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salinazid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccccc1O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962646", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANDOSPIRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962646, "molecule_chembl_id": "CHEMBL274047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.50", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tandospirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962647", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERDEMETAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962647, "molecule_chembl_id": "CHEMBL2137530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.42", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ 26854165 (Serdemetan)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.119", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963291", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POZANICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963291, "molecule_chembl_id": "CHEMBL127071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pozanicline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncccc1OC[C@@H]1CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958367", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958367, "molecule_chembl_id": "CHEMBL1506747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nnc(NC(=O)c2cccnc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958882", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLANDELATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958882, "molecule_chembl_id": "CHEMBL1480987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLANDELATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958013", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUIPAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958013, "molecule_chembl_id": "CHEMBL18772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.28", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUIPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2nc(N3CCNCC3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962804", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOLCITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962804, "molecule_chembl_id": "CHEMBL3301606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Solcitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963106", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963106, "molecule_chembl_id": "CHEMBL71191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 1296 (AG 1296)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-43.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncc(-c3ccccc3)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961657", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961657, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ponatinib (AP24534)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154539", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154539, "molecule_chembl_id": "CHEMBL564131", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "401.90", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cathepsin Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149697", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149697, "molecule_chembl_id": "CHEMBL228043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.01", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LFM-A13"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1cc(Br)ccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958178", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958178, "molecule_chembl_id": "CHEMBL124267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "0.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Hydroxybenzhydrazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958708", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958708, "molecule_chembl_id": "CHEMBL3039061", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963622", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963622, "molecule_chembl_id": "CHEMBL1672558", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-SP-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147356", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULISOBENZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147356, "molecule_chembl_id": "CHEMBL2059073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULISOBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151799", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151799, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nelarabine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151508", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "T091317", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151508, "molecule_chembl_id": "CHEMBL62136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.34", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-0901317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147010", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147010, "molecule_chembl_id": "CHEMBL117225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.74", "alogp": "5.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UK-356618"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147783", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAPASTINEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147783, "molecule_chembl_id": "CHEMBL3544917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Rapastinel Trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147785", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147785, "molecule_chembl_id": "CHEMBL4461515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "655.63", "alogp": "3.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1016790A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152242", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHAZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152242, "molecule_chembl_id": "CHEMBL19", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methazolamide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147389", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147389, "molecule_chembl_id": "CHEMBL1129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.20", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151896", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPIROX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151896, "molecule_chembl_id": "CHEMBL1413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciclopirox ethanolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149268", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149268, "molecule_chembl_id": "CHEMBL4104747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.44", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CaCCinh-A01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149600", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAURINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149600, "molecule_chembl_id": "CHEMBL239243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.15", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Taurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151496", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151496, "molecule_chembl_id": "CHEMBL9843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-218795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152590", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NBQX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152590, "molecule_chembl_id": "CHEMBL222519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152661", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW501516", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152661, "molecule_chembl_id": "CHEMBL38943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.51", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GW 501516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147569", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147569, "molecule_chembl_id": "CHEMBL293391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methyl-1H-imidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147577", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147577, "molecule_chembl_id": "CHEMBL373428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.36", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UBP-310"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(C[C@H](N)C(=O)O)c(=O)n(Cc2ccsc2C(=O)O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151878", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151878, "molecule_chembl_id": "CHEMBL290216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABOB (beta-hydroxy-GABA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147377", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147377, "molecule_chembl_id": "CHEMBL1382901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.35", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cardionogen-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152850", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMOSETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152850, "molecule_chembl_id": "CHEMBL1643895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ramosetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154123", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154123, "molecule_chembl_id": "CHEMBL1241268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.22", "alogp": "0.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pifithrin-mu"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)C#Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149837", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELBIVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149837, "molecule_chembl_id": "CHEMBL374731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Telbivudine (Sebivo; Tyzeka)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153846", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153846, "molecule_chembl_id": "CHEMBL2311578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.68", "alogp": "5.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NMS-873"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149390", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149390, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brinzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153682", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALECTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153682, "molecule_chembl_id": "CHEMBL1738797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CH5424802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153859", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153859, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148351", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORINIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148351, "molecule_chembl_id": "CHEMBL3884248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.29", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153043", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153043, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149279", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149279, "molecule_chembl_id": "CHEMBL494772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.38", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)c(C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152728", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Y-39983", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152728, "molecule_chembl_id": "CHEMBL571948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Y-33075 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153839", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153839, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HEXACHLOROPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152720", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VISMODEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152720, "molecule_chembl_id": "CHEMBL473417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.31", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VISMODEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147867", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZASTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147867, "molecule_chembl_id": "CHEMBL300138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.62", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Enzastaurin hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153775", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFURESERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153775, "molecule_chembl_id": "CHEMBL2219422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFURESERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150420", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E968", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150420, "molecule_chembl_id": "CHEMBL349605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "-2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erythritol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146914", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146914, "molecule_chembl_id": "CHEMBL4520228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.30", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DF-2755A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C(=O)O)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151672", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151672, "molecule_chembl_id": "CHEMBL4513786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.72", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ABT-546"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147171", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALOFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147171, "molecule_chembl_id": "CHEMBL1210954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Balofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151674", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151674, "molecule_chembl_id": "CHEMBL3188549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FOSFOMYCIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147178", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHLORMETHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147178, "molecule_chembl_id": "CHEMBL1054", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLORMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957896", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957896, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sulfasalazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152538", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152538, "molecule_chembl_id": "CHEMBL1256392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.82", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "W-13 HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153762", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153762, "molecule_chembl_id": "CHEMBL3039381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828003", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLURBIPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828003, "molecule_chembl_id": "CHEMBL563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flurbiprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828007", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPERAMIDE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828007, "molecule_chembl_id": "CHEMBL1256702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.52", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thioperamide maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835989", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAURINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835989, "molecule_chembl_id": "CHEMBL239243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.15", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "taurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2637", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831135", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831135, "molecule_chembl_id": "CHEMBL395280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-HUPERZINE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831291", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MGCD-265", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831291, "molecule_chembl_id": "CHEMBL254760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.61", "alogp": "5.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MGCD-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831295", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILNACIPRAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831295, "molecule_chembl_id": "CHEMBL4297064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.81", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILNACIPRAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830972", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830972, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831417", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-665752", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831417, "molecule_chembl_id": "CHEMBL450786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "641.62", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PHA-665752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831483", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFOPAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831483, "molecule_chembl_id": "CHEMBL465026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.35", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFOPAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCOC(c2ccccc2)c2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831565", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOPHENPROPIT HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831565, "molecule_chembl_id": "CHEMBL1237146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.14", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IODOPHENPROPIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.N=C(NCCc1ccc(I)cc1)SCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831752", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIZARTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831752, "molecule_chembl_id": "CHEMBL576982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.68", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Quizartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838702", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838702, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "251.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836261", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAPENTIN ENACARBIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836261, "molecule_chembl_id": "CHEMBL1628502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.39", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gabapentin-enacarbil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2724", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836262", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADODIAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836262, "molecule_chembl_id": "CHEMBL1200346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "gadodiamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1931", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836545", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECITABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836545, "molecule_chembl_id": "CHEMBL1201129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.21", "alogp": "-2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Decitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05394", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831764", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Y-39983", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831764, "molecule_chembl_id": "CHEMBL571948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Y-39983"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832123", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-793887", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832123, "molecule_chembl_id": "CHEMBL1230607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.49", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PHA-793887"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836276", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXYLCAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836276, "molecule_chembl_id": "CHEMBL1197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.36", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hexylcaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1991", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNC1CCCCC1)OC(=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836296", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBETICHOLIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836296, "molecule_chembl_id": "CHEMBL566315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "INT-747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5073", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834826", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SORAFENIB TOSYLATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834826, "molecule_chembl_id": "CHEMBL1200485", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "637.04", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830980", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830980, "molecule_chembl_id": "CHEMBL1256878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZAMIL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831078", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831078, "molecule_chembl_id": "CHEMBL224120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.45", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADEMETIONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831080", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIAROZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831080, "molecule_chembl_id": "CHEMBL2105015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.23", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIAROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(C(c2ccc3[nH]cnc3c2)n2ccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835953", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.153953524,0.026374195)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835953, "molecule_chembl_id": "CHEMBL1201320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "esomeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09016", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835954", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL VALERATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835954, "molecule_chembl_id": "CHEMBL1511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "estradiol-valerate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153716", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153716, "molecule_chembl_id": "CHEMBL1254577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0364739"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149114", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149114, "molecule_chembl_id": "CHEMBL222418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.16", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149121", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149121, "molecule_chembl_id": "CHEMBL519344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetrabenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145741", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-203580", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145741, "molecule_chembl_id": "CHEMBL10", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-203580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152902", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152902, "molecule_chembl_id": "CHEMBL458997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.95", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TAE226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148507", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148507, "molecule_chembl_id": "CHEMBL766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilastatin sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147324", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HORDENINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147324, "molecule_chembl_id": "CHEMBL505789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hordenine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153024", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153024, "molecule_chembl_id": "CHEMBL23236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.73", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Betulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153161", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153161, "molecule_chembl_id": "CHEMBL1088752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Losmapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAZOPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153163, "molecule_chembl_id": "CHEMBL3137320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.36", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TALAZOPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152722", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152722, "molecule_chembl_id": "CHEMBL4303605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "7.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Solvent Red 24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153247", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GF-109203", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153247, "molecule_chembl_id": "CHEMBL7463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GF109203X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145688", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145688, "molecule_chembl_id": "CHEMBL4303463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Anidulafungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)NC4CC(O)C(O)NC(=O)C5C(O)C(C)CN5C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c5ccc(O)cc5)NC(=O)C5CC(O)CN5C(=O)C(C(C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147881", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147881, "molecule_chembl_id": "CHEMBL394527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.89", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPi-688"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153513", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153513, "molecule_chembl_id": "CHEMBL1555354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITA (NSC 652287)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149732", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149732, "molecule_chembl_id": "CHEMBL266084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD015498"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(c2c1)CCNC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146177, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARTESUNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153040", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENIDAP", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153040, "molecule_chembl_id": "CHEMBL1908355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.76", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tenidap"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1C(=O)/C(=C(\\O)c2cccs2)c2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148222", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148222, "molecule_chembl_id": "CHEMBL3417243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.68", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALS-8112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)[C@H]2F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152798", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8330", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152798, "molecule_chembl_id": "CHEMBL3182621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.23", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152563", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152563, "molecule_chembl_id": "CHEMBL1374906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.27", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-354608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(S(=O)(=O)NC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153660", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDOFLUDIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153660, "molecule_chembl_id": "CHEMBL197194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vidofludimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145835", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145835, "molecule_chembl_id": "CHEMBL1823147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BNC105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)c2c(C)oc3c(O)c(OC)ccc23)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150667", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZIMILIDE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150667, "molecule_chembl_id": "CHEMBL3140370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.88", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azimilide (Dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145842", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOTHALAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145842, "molecule_chembl_id": "CHEMBL1201300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.91", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Iothalamic_acid-d3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145622", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145622, "molecule_chembl_id": "CHEMBL2180727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.57", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGI-5198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148074", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148074, "molecule_chembl_id": "CHEMBL3903492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.81", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MSC2530818"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145844", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145844, "molecule_chembl_id": "CHEMBL4303553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.55", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TU-2100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1OC(=O)CCCCCCCC(=O)Oc1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145617", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145617, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-Benzylguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152718", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINIFANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152718, "molecule_chembl_id": "CHEMBL223360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.41", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Linifanib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145772", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145772, "molecule_chembl_id": "CHEMBL3182598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lynestrenol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152422", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152422, "molecule_chembl_id": "CHEMBL4303699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Sodium orthovanadate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150850", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150850, "molecule_chembl_id": "CHEMBL1551988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "760.79", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxotremorine sesquifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C1CCCN1CC#CCN1CCCC1.O=C1CCCN1CC#CCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152616", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXARSONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152616, "molecule_chembl_id": "CHEMBL1321154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ROXARSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147861", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAIDZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147861, "molecule_chembl_id": "CHEMBL486422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAIDZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152719", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152719, "molecule_chembl_id": "CHEMBL473967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.48", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T863"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153790", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESLANOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153790, "molecule_chembl_id": "CHEMBL1614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "943.09", "alogp": "0.04", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Deslanoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147912", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSTAFUROXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147912, "molecule_chembl_id": "CHEMBL2068971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rostafuroxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153787", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153787, "molecule_chembl_id": "CHEMBL1368758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.29", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149287", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICERGOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149287, "molecule_chembl_id": "CHEMBL1372950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICERGOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148696", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARGLUMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148696, "molecule_chembl_id": "CHEMBL1201780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carglumic_acid\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149669", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPROZIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149669, "molecule_chembl_id": "CHEMBL276568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefprozil monohydrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154242", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154242, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EVACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152031", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152031, "molecule_chembl_id": "CHEMBL686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002554908"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152529", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152529, "molecule_chembl_id": "CHEMBL3108871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIQ-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2sccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149012", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149012, "molecule_chembl_id": "CHEMBL7087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.26", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(2-AMINOETHYL)BENZENESULFONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149649", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CUDC-101", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149649, "molecule_chembl_id": "CHEMBL598797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CUDC-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149654", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSI-930", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149654, "molecule_chembl_id": "CHEMBL1614710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.45", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSI-930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152269", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152269, "molecule_chembl_id": "CHEMBL1387826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.55", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMN082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152281", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152281, "molecule_chembl_id": "CHEMBL401930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.97", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-536924"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147778", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDEBENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147778, "molecule_chembl_id": "CHEMBL252556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDEBENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152489", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152489, "molecule_chembl_id": "CHEMBL249089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.28", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154092", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISPINESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154092, "molecule_chembl_id": "CHEMBL228814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ISPINESIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154034", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154034, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "FENRETINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149538", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILMENIDINE HEMIFUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149538, "molecule_chembl_id": "CHEMBL1256674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.32", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rilmenidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1COC(NC(C2CC2)C2CC2)=N1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154115", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154115, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152861", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152861, "molecule_chembl_id": "CHEMBL3115312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.65", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-42041935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150130", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENSERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150130, "molecule_chembl_id": "CHEMBL74926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENSERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150131", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTANOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150131, "molecule_chembl_id": "CHEMBL210952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "allopregnanolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154008", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154008, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "homoharringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154016", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154016, "molecule_chembl_id": "CHEMBL1779732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.28", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CYM-50358"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CN)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154018", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENADIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154018, "molecule_chembl_id": "CHEMBL590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.18", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MENADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149522", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149522, "molecule_chembl_id": "CHEMBL97257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK-571 (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCS[C@@H](SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149523", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149523, "molecule_chembl_id": "CHEMBL1611218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOLINDONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C)[nH]c2c1C(=O)[C@H](CN1CCOCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149525", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149525, "molecule_chembl_id": "CHEMBL4303609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Uridine-5'-triphosphate\u00c2\u00b73Na"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154028", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIOTHEPIN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154028, "molecule_chembl_id": "CHEMBL1256737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.67", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METITEPINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149526", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149526, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "amisulpride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149530", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149530, "molecule_chembl_id": "CHEMBL312607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.21", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BL-5583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152884", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOBENZAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152884, "molecule_chembl_id": "CHEMBL1200636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.86", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOBENZAPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152602", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152602, "molecule_chembl_id": "CHEMBL267484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.47", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ARACHIDONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148100", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPANTHELINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148100, "molecule_chembl_id": "CHEMBL1180725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.50", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPANTHELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152896", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCITEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152896, "molecule_chembl_id": "CHEMBL513024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glycitein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153983, "molecule_chembl_id": "CHEMBL337173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.76", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-663284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149481", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNAP (S-NITROSO-N-ACETYLPENICILLAMINE)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149481, "molecule_chembl_id": "CHEMBL27308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.25", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNAP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(C(=O)O)C(C)(C)SN=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153986", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-2206", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153986, "molecule_chembl_id": "CHEMBL1079175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2206 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152898", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152898, "molecule_chembl_id": "CHEMBL2362410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.06", "alogp": "0.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Landiolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153943", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153943, "molecule_chembl_id": "CHEMBL400402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.98", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG 100572 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149271", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149271, "molecule_chembl_id": "CHEMBL363419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS3777 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2nc3ncnc-3c(NC3CCCCC3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149281", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINEPAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149281, "molecule_chembl_id": "CHEMBL1874750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cinepazide maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149418", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOMID-529", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149418, "molecule_chembl_id": "CHEMBL2141712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Palomid 529"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153924", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153924, "molecule_chembl_id": "CHEMBL3039201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1701.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "TANNIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153925", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFATINIB DIMALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153925, "molecule_chembl_id": "CHEMBL2105712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.09", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Afatinib (dimaleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153929", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153929, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB-5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149434", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149434, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149499", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP-99994", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149499, "molecule_chembl_id": "CHEMBL441225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-99994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154005", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAVANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154005, "molecule_chembl_id": "CHEMBL2111101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.56", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pimavanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153399", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153399, "molecule_chembl_id": "CHEMBL228654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149482", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMSAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149482, "molecule_chembl_id": "CHEMBL3301620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.49", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Temsavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148460", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COTININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148460, "molecule_chembl_id": "CHEMBL578211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.22", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAM001247007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC[C@H]1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153953", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARDOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153953, "molecule_chembl_id": "CHEMBL1093059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.67", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BARDOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149451", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149451, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUXOLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153829", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153829, "molecule_chembl_id": "CHEMBL1628668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.63", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "W54011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149454", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROFENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149454, "molecule_chembl_id": "CHEMBL1368313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.93", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DROFENINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153959", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153959, "molecule_chembl_id": "CHEMBL1201196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.78", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sertaconazole nitrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153511", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROGLITAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153511, "molecule_chembl_id": "CHEMBL408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.55", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Troglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151497", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFACITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151497, "molecule_chembl_id": "CHEMBL221959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.38", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tofacitinib (CP-690550; Tasocitinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152536, "molecule_chembl_id": "CHEMBL13564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BZA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150401", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150401, "molecule_chembl_id": "CHEMBL173562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Hydroxyethyl salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCO)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828319", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROMOLYN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828319, "molecule_chembl_id": "CHEMBL74", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.33", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cromolyn disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06696", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832963", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPROPERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832963, "molecule_chembl_id": "CHEMBL2105910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.45", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENPROPERINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1Cc1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836539", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.106678591,0.021899997)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRATROPIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836539, "molecule_chembl_id": "CHEMBL1621597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.46", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ipratropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06429", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831760", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBETICHOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831760, "molecule_chembl_id": "CHEMBL566315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "INT-747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836264", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOSTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836264, "molecule_chembl_id": "CHEMBL1580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glyburide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0932", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831399", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITOGLUSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831399, "molecule_chembl_id": "CHEMBL506678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.86", "alogp": "5.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DAUCOSTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832145", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERGOSTEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832145, "molecule_chembl_id": "CHEMBL1232562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.66", "alogp": "7.33", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ERGOSTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834595", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834595, "molecule_chembl_id": "CHEMBL4303439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.49", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TETRADECYL NICOTINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831702", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831702, "molecule_chembl_id": "CHEMBL561708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WYE-354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960464", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THYMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960464, "molecule_chembl_id": "CHEMBL29411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thymol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956065", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956065, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AR-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959567", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959567, "molecule_chembl_id": "CHEMBL1620698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.21", "alogp": "-0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARNITINE (dl) HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959896", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUTEOLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959896, "molecule_chembl_id": "CHEMBL151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luteolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.027", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961524", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961524, "molecule_chembl_id": "CHEMBL1564377", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "116.12", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-966-(S)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CCN(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956171", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956171, "molecule_chembl_id": "CHEMBL1201267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.32", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEVIMELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961341", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERINURAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961341, "molecule_chembl_id": "CHEMBL3707347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Verinurad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149341", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149341, "molecule_chembl_id": "CHEMBL4303641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.33", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KT-433"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153633", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153633, "molecule_chembl_id": "CHEMBL4303470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "592.14", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK-923295"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153751", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAZOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153751, "molecule_chembl_id": "CHEMBL2", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.41", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153147", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-571", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153147, "molecule_chembl_id": "CHEMBL15177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "verlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148645", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148645, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mofezolac\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148653, "molecule_chembl_id": "CHEMBL108660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148333", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148333, "molecule_chembl_id": "CHEMBL2397386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.93", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NGB-2904"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152837", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOQUINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152837, "molecule_chembl_id": "CHEMBL86754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.95", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IODOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148339", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148339, "molecule_chembl_id": "CHEMBL30", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.35", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIMETIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N/CCSCc1nc[nH]c1C)NC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152843", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152843, "molecule_chembl_id": "CHEMBL3039315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE CAPROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148400", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148400, "molecule_chembl_id": "CHEMBL210833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.44", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-359"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148959", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148959, "molecule_chembl_id": "CHEMBL1256839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.93", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YS-035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148412", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148412, "molecule_chembl_id": "CHEMBL575966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.23", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TGR5 Receptor Agonist"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152918", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152918, "molecule_chembl_id": "CHEMBL3093756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.59", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2881"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148550", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEMECLOCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148550, "molecule_chembl_id": "CHEMBL1200474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.32", "alogp": "0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEMECLOCYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148519", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148519, "molecule_chembl_id": "CHEMBL399121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hesperetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152927", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152927, "molecule_chembl_id": "CHEMBL504548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.77", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASENAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148425", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148425, "molecule_chembl_id": "CHEMBL540356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.30", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pifithrin-cyclic"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150270", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLCITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150270, "molecule_chembl_id": "CHEMBL3301606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Solcitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959999", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXLOXIGLUMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959999, "molecule_chembl_id": "CHEMBL550781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "dexloxiglumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960136", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960136, "molecule_chembl_id": "CHEMBL363419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS3777 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2nc3ncnc-3c(NC3CCCCC3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960004", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELICICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960004, "molecule_chembl_id": "CHEMBL14762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.46", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Roscovitine (Seliciclib; CYC202)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.845", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955901", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ECABAPIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955901, "molecule_chembl_id": "CHEMBL2104348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ecabamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960008", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960008, "molecule_chembl_id": "CHEMBL4303644", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.45", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-Oxo-dehydroepiandrosterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.619", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960009", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960009, "molecule_chembl_id": "CHEMBL3326831", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.56", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NTRC-824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955709", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2,2-DIMETHYLBUTYRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955709, "molecule_chembl_id": "CHEMBL286013", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "116.16", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "HQK-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959920", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINERIXIBAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959920, "molecule_chembl_id": "CHEMBL2387408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GSK2330672"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960161", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CP1-1189", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960161, "molecule_chembl_id": "CHEMBL4297369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CPI-1189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960759", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SORAFENIB TOSYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960759, "molecule_chembl_id": "CHEMBL1200485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "637.04", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960168", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZEMETOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960168, "molecule_chembl_id": "CHEMBL3414621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "572.75", "alogp": "4.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tazemetostat (EPZ-6438)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.797", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960831", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KU-55933", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960831, "molecule_chembl_id": "CHEMBL222102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU-55933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964277", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.03", "bao_label": "assay format", "molecule_pref_name": "BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964277, "molecule_chembl_id": "CHEMBL571700", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.38", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylthiuram monosulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "940.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959905", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959905, "molecule_chembl_id": "CHEMBL1450144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.50", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JX-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.324", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956086", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956086, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Posaconazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960862", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960862, "molecule_chembl_id": "CHEMBL1738872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.52", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-F-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960947", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960947, "molecule_chembl_id": "CHEMBL1972527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CYM-50769"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956626", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956626, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149018", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149018, "molecule_chembl_id": "CHEMBL3402962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.32", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(Benzyloxy)benzenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956159", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956159, "molecule_chembl_id": "CHEMBL3687538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.47", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-2099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963277", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963277, "molecule_chembl_id": "CHEMBL285819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.69", "alogp": "-1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-chloroadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956566", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956566, "molecule_chembl_id": "CHEMBL1199539", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.69", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALOFUGINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961493", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961493, "molecule_chembl_id": "CHEMBL151059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "butabindide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.938", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961496", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961496, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961556", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961556, "molecule_chembl_id": "CHEMBL442687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.17", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2cc(O)ccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961563", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961563, "molecule_chembl_id": "CHEMBL4303403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lorediplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C)c1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153115", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPATINIB DITOSYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153115, "molecule_chembl_id": "CHEMBL1201179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "943.49", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lapatinib (GW-572016) Ditosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960803", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOLIFENACIN SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960803, "molecule_chembl_id": "CHEMBL1200803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.56", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOLIFENACIN SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956507", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956507, "molecule_chembl_id": "CHEMBL2441340", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.46", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2656157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148759", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148759, "molecule_chembl_id": "CHEMBL244559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG 100713"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154398", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154398, "molecule_chembl_id": "CHEMBL1671971", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "420.37", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E3 ligase Ligand 5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3330.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956062, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150271", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150271, "molecule_chembl_id": "CHEMBL1255654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150272", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBENONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150272, "molecule_chembl_id": "CHEMBL1200541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.48", "alogp": "4.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ambenonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150274", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150274, "molecule_chembl_id": "CHEMBL90568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diosmetin (Luteolin 4-methyl ether)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149877", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBENZOTHIOPHENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149877, "molecule_chembl_id": "CHEMBL219828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.26", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIBENZOTHIOPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)sc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153496", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITISINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153496, "molecule_chembl_id": "CHEMBL1337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITISINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153499", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153499, "molecule_chembl_id": "CHEMBL72410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.69", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IRL-2500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153039", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153039, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLCAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959212", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959212, "molecule_chembl_id": "CHEMBL1399511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.90", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCSC[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153523", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153523, "molecule_chembl_id": "CHEMBL324162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ro 48-8071 (fumarate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148950", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148950, "molecule_chembl_id": "CHEMBL2064244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Golgicide A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955653", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOMOCAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955653, "molecule_chembl_id": "CHEMBL1407844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erbocain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148610", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148610, "molecule_chembl_id": "CHEMBL1200596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.05", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149046", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149046, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rabusertib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153119", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153119, "molecule_chembl_id": "CHEMBL408430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.34", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-1241"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963067", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PUTRESCINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963067, "molecule_chembl_id": "CHEMBL1528028", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "161.08", "alogp": "-0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "putrescine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963322", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963322, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958493", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMARIXETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958493, "molecule_chembl_id": "CHEMBL226034", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.27", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4'-O-methyl Quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963484", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963484, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entacapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154193", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.68", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154193, "molecule_chembl_id": "CHEMBL154745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-deazaneplanocin A (DZNeP) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2070.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154194", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.12", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154194, "molecule_chembl_id": "CHEMBL137648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "3'-fluorobenzylspiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7660.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149692", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOPATADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149692, "molecule_chembl_id": "CHEMBL1719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.88", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olopatadine hydrochloride (Opatanol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149536", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLVANIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149536, "molecule_chembl_id": "CHEMBL76903", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.63", "alogp": "7.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "olvanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154217", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.70", "bao_label": "organism-based format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154217, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "brefeldin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154040", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURAMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154040, "molecule_chembl_id": "CHEMBL1964991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.81", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "furamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957749", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PINDOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957749, "molecule_chembl_id": "CHEMBL500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PINDOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962449", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM NITRITE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962449, "molecule_chembl_id": "CHEMBL93268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "69.00", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sodium Nitrite"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.049", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=N[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962599", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOTEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962599, "molecule_chembl_id": "CHEMBL285802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.87", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "zotepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.752", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962961", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962961, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956130", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACACETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956130, "molecule_chembl_id": "CHEMBL243664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACACETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956291", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLOFENSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956291, "molecule_chembl_id": "CHEMBL287257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.24", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLOFENSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956140", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956140, "molecule_chembl_id": "CHEMBL263664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.85", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT128930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961090", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961090, "molecule_chembl_id": "CHEMBL4303273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.24", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANR-94"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2c(N)ncnc2n1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSALMID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150075, "molecule_chembl_id": "CHEMBL389507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Osalmid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(O)cc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146142", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146142, "molecule_chembl_id": "CHEMBL191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.92", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOSARTAN POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150960", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAROXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150960, "molecule_chembl_id": "CHEMBL539313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.75", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFAROXAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C2=NCCN2)Cc2ccccc2O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961093", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961093, "molecule_chembl_id": "CHEMBL1411934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "centazolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.732", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nn1cnc2cc3ccccc3cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153407", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153407, "molecule_chembl_id": "CHEMBL1765463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.47", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HS-173"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153312", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153312, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NILOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148225", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148225, "molecule_chembl_id": "CHEMBL379761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.87", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-FPR 43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148230", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148230, "molecule_chembl_id": "CHEMBL3182437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.49", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152894", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152894, "molecule_chembl_id": "CHEMBL586058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.24", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-10417808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)[nH]c(Nc3ccc(Cl)c(Cl)c3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152034", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152034, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NILOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153435", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153435, "molecule_chembl_id": "CHEMBL405759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TWS-119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147903", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147903, "molecule_chembl_id": "CHEMBL473104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NNC-711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145616", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145616, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PSORALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957893", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957893, "molecule_chembl_id": "CHEMBL571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ketoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961690", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961690, "molecule_chembl_id": "CHEMBL1697708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.57", "alogp": "-0.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mezlocillin Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149186", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149186, "molecule_chembl_id": "CHEMBL134350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.72", "alogp": "5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FUSIDIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)C3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149092", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOROLAC TROMETHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149092, "molecule_chembl_id": "CHEMBL1201124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOROLAC TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153703", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPRENOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153703, "molecule_chembl_id": "CHEMBL2111163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.38", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiprenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccccc1OCC(O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957068", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957068, "molecule_chembl_id": "CHEMBL1823342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.69", "alogp": "5.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "JNJ-31020028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957992", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957992, "molecule_chembl_id": "CHEMBL1725120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MLS0315771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154050", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERPYRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154050, "molecule_chembl_id": "CHEMBL89445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TERPYRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cccc(-c3ccccn3)n2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961664", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961664, "molecule_chembl_id": "CHEMBL2144958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149204", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENCICLOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149204, "molecule_chembl_id": "CHEMBL1540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENCICLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153807", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153807, "molecule_chembl_id": "CHEMBL368427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACHP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILOREXANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149370, "molecule_chembl_id": "CHEMBL2107822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Filorexant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNS-314", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153875, "molecule_chembl_id": "CHEMBL482767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SNS-314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149874", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAMORELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149874, "molecule_chembl_id": "CHEMBL2110579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.72", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Anamorelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154459", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154459, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8950.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154568", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GOLVATINIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154568, "molecule_chembl_id": "CHEMBL3039525", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "633.70", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Golvatinib (E7050)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149533", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1070916", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149533, "molecule_chembl_id": "CHEMBL1090479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.64", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK1070916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154044", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154044, "molecule_chembl_id": "CHEMBL4073922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "691.64", "alogp": "8.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2193874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152285", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIGABATRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152285, "molecule_chembl_id": "CHEMBL89598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.16", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vigabatrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(N)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152286", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152286, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAL-101 (GS-1101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149401", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149401, "molecule_chembl_id": "CHEMBL3589039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.60", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ020411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153907", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153907, "molecule_chembl_id": "CHEMBL45152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.29", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086290"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2sn1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153919", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARDOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153919, "molecule_chembl_id": "CHEMBL1093059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.67", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BARDOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149441", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149441, "molecule_chembl_id": "CHEMBL4303518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.24", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "perchlozone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)NN=Cc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149545", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PX-12", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149545, "molecule_chembl_id": "CHEMBL406050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.32", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PX-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)SSc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153789", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOLASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153789, "molecule_chembl_id": "CHEMBL1233528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.83", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "BI6727 (Volasertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154138", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154138, "molecule_chembl_id": "CHEMBL4303318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SIMEPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@H]3CC4C(=O)N(C)CCCC/C=C\\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154146", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154146, "molecule_chembl_id": "CHEMBL4590257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SB-743921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)C(c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153803", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153803, "molecule_chembl_id": "CHEMBL4562388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.46", "alogp": "7.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GI 530159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957067", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957067, "molecule_chembl_id": "CHEMBL3883592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "669.82", "alogp": "3.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MM-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153783", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153783, "molecule_chembl_id": "CHEMBL553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERLOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149410", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149410, "molecule_chembl_id": "CHEMBL869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.14", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITROFURAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149431", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAGEDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149431, "molecule_chembl_id": "CHEMBL225304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "74.09", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Pimagedine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153938", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LONAFARNIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153938, "molecule_chembl_id": "CHEMBL298734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.83", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Lonafarnib (SCH66336)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152331", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRTAZAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152331, "molecule_chembl_id": "CHEMBL654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azamianserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3C2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149645", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOSOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149645, "molecule_chembl_id": "CHEMBL451260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.24", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYQUINOLINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)O.Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154305", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.81", "bao_label": "organism-based format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154305, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RALOXIFENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15440.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150093", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3-HYDROXYCOUMARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150093, "molecule_chembl_id": "CHEMBL150372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.14", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-HYDROXYCOUMARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956380", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELPERCATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956380, "molecule_chembl_id": "CHEMBL4559134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.61", "alogp": "3.28", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOXO-292"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151713", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMONABANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151713, "molecule_chembl_id": "CHEMBL111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.80", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Rimonabant (SR141716)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147288", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147288, "molecule_chembl_id": "CHEMBL507046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-Hydroxycrotonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150190", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150190, "molecule_chembl_id": "CHEMBL1339149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML345 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145978", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145978, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "POSACONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149720", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149720, "molecule_chembl_id": "CHEMBL255822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.33", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119657"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=S)NC2=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961393", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARUNDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961393, "molecule_chembl_id": "CHEMBL446452", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Diindolylmethane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150269", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KHELLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150269, "molecule_chembl_id": "CHEMBL44746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.24", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHELLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2c(OC)c2c(=O)cc(C)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956355", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956355, "molecule_chembl_id": "CHEMBL4445682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.40", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU6012962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2-n2cncn2)ccc1OCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150517", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150517, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flurizan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150221", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITOGLUSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150221, "molecule_chembl_id": "CHEMBL506678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.86", "alogp": "5.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Daucosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961577", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SATRAPLATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961577, "molecule_chembl_id": "CHEMBL3833367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.28", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "image_file": "metalContaining.svg", "compound_key": "Satraplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149785", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANIRIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149785, "molecule_chembl_id": "CHEMBL3039531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.91", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Danirixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149787", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRIL MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149787, "molecule_chembl_id": "CHEMBL1200659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENALAPRIL MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154493", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154493, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN A9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1270.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154520", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154520, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMODIAQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154322", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.93", "bao_label": "organism-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154322, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine (Fanchinine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11660.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149822", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRENALTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149822, "molecule_chembl_id": "CHEMBL1160714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.29", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRENALTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956333", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARIPORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956333, "molecule_chembl_id": "CHEMBL436559", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.35", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cariporide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150956", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150956, "molecule_chembl_id": "CHEMBL55145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.67", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-300315"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2cc(O)nc(O)n2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146232", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146232, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246611"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150964", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEDIZOLID PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150964, "molecule_chembl_id": "CHEMBL2105669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.32", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tedizolid (phosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146200", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESVERATROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146200, "molecule_chembl_id": "CHEMBL165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Resveratrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147201", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBENZARIT SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147201, "molecule_chembl_id": "CHEMBL2107179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.65", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lobenzarit disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150911", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150911, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MYRICETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956452", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUCLADESINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956452, "molecule_chembl_id": "CHEMBL485980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.39", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bucladesine (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961229", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961229, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150623", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150623, "molecule_chembl_id": "CHEMBL4303266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-ethoxybenzoic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152630", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APTIGANEL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152630, "molecule_chembl_id": "CHEMBL554054", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cerestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152635", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152635, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib phosphate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146604", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146604, "molecule_chembl_id": "CHEMBL444449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.37", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-(4-phenoxybutoxy)psoralen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151064", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151064, "molecule_chembl_id": "CHEMBL1534501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAHYDROZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCC[C@@H]2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151938", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPLASININ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151938, "molecule_chembl_id": "CHEMBL325441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.39", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tiplaxtinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151939", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOPRIM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151939, "molecule_chembl_id": "CHEMBL22", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHOPRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151729", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BX-795", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151729, "molecule_chembl_id": "CHEMBL577784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.48", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BX-795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152118", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152118, "molecule_chembl_id": "CHEMBL200381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.84", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-S-7006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151915", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETOSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151915, "molecule_chembl_id": "CHEMBL2105044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Letosteine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CSCCC1NC(C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956603", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956603, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-METHOXYESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961383", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIDOXEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961383, "molecule_chembl_id": "CHEMBL1256774", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOXEPIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150647", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRACLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150647, "molecule_chembl_id": "CHEMBL1200379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.57", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "apraclonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153773", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153773, "molecule_chembl_id": "CHEMBL214253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.33", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-407824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148227", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAMIPHEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148227, "molecule_chembl_id": "CHEMBL1598472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Caramiphen; Parpanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152931", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMAZODAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152931, "molecule_chembl_id": "CHEMBL12831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.27", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMAZODAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149010", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149010, "molecule_chembl_id": "CHEMBL297784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-206553"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148767", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHAZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148767, "molecule_chembl_id": "CHEMBL19", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methazolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152408", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLIPROLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152408, "molecule_chembl_id": "CHEMBL67096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.32", "alogp": "1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLIPROLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(OCC(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154234", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.10", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154234, "molecule_chembl_id": "CHEMBL80713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148223", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148223, "molecule_chembl_id": "CHEMBL4202825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.45", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-60-6583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149081", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149081, "molecule_chembl_id": "CHEMBL3941037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-7300243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(CC(=O)O)cc2)cc(OC)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150546", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150546, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOFUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150636", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150636, "molecule_chembl_id": "CHEMBL1738731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-BVU972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956611", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956611, "molecule_chembl_id": "CHEMBL290071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.49", "alogp": "-4.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Arg-Gly-Asp-Cys"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146252", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICOTINYL TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146252, "molecule_chembl_id": "CHEMBL1324760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.21", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICOTINYL ALCOHOL TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151123", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151123, "molecule_chembl_id": "CHEMBL2325697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146039", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146039, "molecule_chembl_id": "CHEMBL483091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Isopropyl-Isothiourea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)SC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150751", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150751, "molecule_chembl_id": "CHEMBL1476996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(OCc1ccccc1)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146623", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146623, "molecule_chembl_id": "CHEMBL4303614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methyl-5-nitrophenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150776", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRINDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150776, "molecule_chembl_id": "CHEMBL2104501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.96", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aprindine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROHEPTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151062, "molecule_chembl_id": "CHEMBL1716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.87", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147443", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147443, "molecule_chembl_id": "CHEMBL381638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBC 293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nnc2cc(C(=O)O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151625", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151625, "molecule_chembl_id": "CHEMBL4303688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGS 21680 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153966", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153966, "molecule_chembl_id": "CHEMBL403183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154046", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154046, "molecule_chembl_id": "CHEMBL1523019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "madrasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(Nc3nc(C)c(C)c(O)n3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153786", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153786, "molecule_chembl_id": "CHEMBL329672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.71", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2ncnc3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154355", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154355, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152353", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152353, "molecule_chembl_id": "CHEMBL1255588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.53", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Butaclamol_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149543", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149543, "molecule_chembl_id": "CHEMBL598952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.16", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ODQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1onc2cnc3ccccc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154057", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154057, "molecule_chembl_id": "CHEMBL51314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SF1670"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154345", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.26", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154345, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5540.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154357", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ADOMEGLIVANT", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154357, "molecule_chembl_id": "CHEMBL3707351", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "555.64", "alogp": "7.94", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ADOMEGLIVANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149647", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149647, "molecule_chembl_id": "CHEMBL1742402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.38", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tropanyl-3;5-dimethylbenzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149968", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149968, "molecule_chembl_id": "CHEMBL151059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "butabindide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154183", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154183, "molecule_chembl_id": "CHEMBL808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.69", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ECONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145992", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARRY-797", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145992, "molecule_chembl_id": "CHEMBL1088750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ARRY-797"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145906", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145906, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torkinib (PP242)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145999", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145999, "molecule_chembl_id": "CHEMBL1513993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.74", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R)-BAY 73-6691"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146005", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDAGLITAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146005, "molecule_chembl_id": "CHEMBL3990804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "edaglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150417", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150417, "molecule_chembl_id": "CHEMBL458875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Clevudine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145661", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETAFENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145661, "molecule_chembl_id": "CHEMBL1736151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etafenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961601", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961601, "molecule_chembl_id": "CHEMBL33620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.75", "alogp": "6.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-33805 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956256", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956256, "molecule_chembl_id": "CHEMBL1513993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.74", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R)-BAY 73-6691"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154646", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154646, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torkinib (PP242)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154654", "_score": 6.4420605, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154654, "molecule_chembl_id": "CHEMBL365141", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "387.61", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "U-18666A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.98", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150244", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150244, "molecule_chembl_id": "CHEMBL2169919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "2.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ004777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956563", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956563, "molecule_chembl_id": "CHEMBL4520674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.36", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-678"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@H]1c1ccc(C#N)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961643", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENICILLIN V POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961643, "molecule_chembl_id": "CHEMBL1200852", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.49", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLIN V POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961638", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961638, "molecule_chembl_id": "CHEMBL4303457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.30", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ilepcimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.478", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C=Cc1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961348", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAPROPTERIN DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961348, "molecule_chembl_id": "CHEMBL1201775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.17", "alogp": "-1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sapropterin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147768", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147768, "molecule_chembl_id": "CHEMBL115097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.60", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PA-452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1cc2c(cc1N(C)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153571", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153571, "molecule_chembl_id": "CHEMBL2103842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.95", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VARLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960889", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINPIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960889, "molecule_chembl_id": "CHEMBL1256574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quinpirol-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146141", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146141, "molecule_chembl_id": "CHEMBL213907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.63", "alogp": "0.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thiocolchicoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956309", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956309, "molecule_chembl_id": "CHEMBL3809595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS967"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147338", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERAMPANEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147338, "molecule_chembl_id": "CHEMBL1214124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.39", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Perampanel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147284", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINAFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147284, "molecule_chembl_id": "CHEMBL1908370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.39", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "8-cyano-1-cyclopropyl-6-fluoro-7-((4aS;7aS)-hexahydropyrrolo[3;4-b][1;4]oxazin-6(2H)-yl)-4-oxo-1;4-dihydroquinoline-3-carboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151856", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151856, "molecule_chembl_id": "CHEMBL4303384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.54", "alogp": "4.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY 87-2243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146875", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORGILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146875, "molecule_chembl_id": "CHEMBL8706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.18", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLORGILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)CCCOc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960997", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960997, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ramelteon\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956135", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956135, "molecule_chembl_id": "CHEMBL3218916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.34", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR3335"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150947", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUETIAPINE FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150947, "molecule_chembl_id": "CHEMBL1200911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.59", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUETIAPINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154207", "_score": 6.4420605, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.94", "bao_label": "organism-based format", "molecule_pref_name": "AVN-944", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154207, "molecule_chembl_id": "CHEMBL3349001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVN-944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151628", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOMELUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151628, "molecule_chembl_id": "CHEMBL162358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 171883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147465", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HAEMAPORPHYRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147465, "molecule_chembl_id": "CHEMBL317840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.70", "alogp": "6.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "hematoporphyrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151665", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151665, "molecule_chembl_id": "CHEMBL4303339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Semagacestat (LY450139)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147163", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PITOLISANT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147163, "molecule_chembl_id": "CHEMBL4164059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.32", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BF2.649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146869", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146869, "molecule_chembl_id": "CHEMBL117649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.26", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tempol-H"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(O)CC(C)(C)N1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146711", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXCARBAZEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146711, "molecule_chembl_id": "CHEMBL1068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXCARBAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151066", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151066, "molecule_chembl_id": "CHEMBL410456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-4476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146718", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCYLLITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146718, "molecule_chembl_id": "CHEMBL468154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Cocositol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150979", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALTOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150979, "molecule_chembl_id": "CHEMBL1908365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "D-(+)-MALTOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146230", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146230, "molecule_chembl_id": "CHEMBL3103988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147038", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDACATEROL MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147038, "molecule_chembl_id": "CHEMBL1789842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indacaterol Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150578", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTOFILOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150578, "molecule_chembl_id": "CHEMBL157443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.40", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "butofilolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147252", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147252, "molecule_chembl_id": "CHEMBL469169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.87", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-939572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151659", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETC-159", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151659, "molecule_chembl_id": "CHEMBL3633802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ETC-159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151764", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151764, "molecule_chembl_id": "CHEMBL497608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.30", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-888 (Veliparib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146959", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146959, "molecule_chembl_id": "CHEMBL120735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.30", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-452533"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151551", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMSULOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151551, "molecule_chembl_id": "CHEMBL836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.52", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tamsulosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151556", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOVAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151556, "molecule_chembl_id": "CHEMBL2105648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "6.15", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Palovarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151558", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VITAMIN E", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151558, "molecule_chembl_id": "CHEMBL47", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.72", "alogp": "8.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vitamin E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147056", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147056, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147059", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147059, "molecule_chembl_id": "CHEMBL1317823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.29", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH6809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147067", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147067, "molecule_chembl_id": "CHEMBL3039305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960990", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960990, "molecule_chembl_id": "CHEMBL4303369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SP-141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956219", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956219, "molecule_chembl_id": "CHEMBL4539742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARN-3236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146777", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMILOXAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146777, "molecule_chembl_id": "CHEMBL347695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "imiloxan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1ccnc1CC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151355", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LICOFELONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151355, "molecule_chembl_id": "CHEMBL300982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Licofelone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146783", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146783, "molecule_chembl_id": "CHEMBL1865834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.81", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piribedil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151224", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151224, "molecule_chembl_id": "CHEMBL1394402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.31", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-616763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150613", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYMAZOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150613, "molecule_chembl_id": "CHEMBL2106467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.33", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tymazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)c(OCC2=NCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150782", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOCETAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150782, "molecule_chembl_id": "CHEMBL1200770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.96", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "iocetamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146797", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146797, "molecule_chembl_id": "CHEMBL4591234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.50", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THDOC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146370", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPROSTENOL SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146370, "molecule_chembl_id": "CHEMBL1520583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.90", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cloprostenol-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151190", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151190, "molecule_chembl_id": "CHEMBL3613749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.03", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 2830371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146697", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146697, "molecule_chembl_id": "CHEMBL1201129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.21", "alogp": "-2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "decitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146702", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146702, "molecule_chembl_id": "CHEMBL1612423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.89", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119387"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151240", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151240, "molecule_chembl_id": "CHEMBL2177380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.01", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipatasertib (GDC-0068)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@@H]3O)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146737", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146737, "molecule_chembl_id": "CHEMBL4303681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Vitamin B12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151241", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151241, "molecule_chembl_id": "CHEMBL2134092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITX3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145923", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145923, "molecule_chembl_id": "CHEMBL526744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "3353.11", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "nisin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CS[C@@H](C)[C@H]2NC(=O)C(=C)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@H](CCCNN)NC(=O)[C@@H]4CS[C@@H](C)[C@@H](NC(=O)[C@@H]5CSC[C@@H](NC(=O)/C(=C\\C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N3)[C@H](C)SC[C@H](NC2=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150735", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150735, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir sulfate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150962", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150962, "molecule_chembl_id": "CHEMBL1204354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "0.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-1004_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NCCNS(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146405", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146405, "molecule_chembl_id": "CHEMBL2169920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.55", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ505 (ditrifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146406", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146406, "molecule_chembl_id": "CHEMBL316034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,4-Pyridinedicarboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccnc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146028", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146028, "molecule_chembl_id": "CHEMBL258465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c3c(c1)c1c(n3CCNC2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151548", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151548, "molecule_chembl_id": "CHEMBL1721359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Nitarsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146593", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146593, "molecule_chembl_id": "CHEMBL279218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFM-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(c1ccc(N)cc1)=NNC(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146051", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENURESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146051, "molecule_chembl_id": "CHEMBL2105796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.63", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENURESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNC(=O)c1ccc(Cl)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146577", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146577, "molecule_chembl_id": "CHEMBL2177757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.70", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151152", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151152, "molecule_chembl_id": "CHEMBL237830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.37", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ 811"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151095", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFONICID SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151095, "molecule_chembl_id": "CHEMBL1201005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "586.54", "alogp": "-0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefonicid (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151036", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151036, "molecule_chembl_id": "CHEMBL285819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.69", "alogp": "-1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246886"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150763", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINALUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150763, "molecule_chembl_id": "CHEMBL283754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.56", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cinalukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150610", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLPERISONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150610, "molecule_chembl_id": "CHEMBL1395150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.83", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLPERISONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151223", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORIMURON ETHYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151223, "molecule_chembl_id": "CHEMBL1231791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.83", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORIMURON ETHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150478", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIDOXEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150478, "molecule_chembl_id": "CHEMBL1256774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOXEPIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150983", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150983, "molecule_chembl_id": "CHEMBL2146124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFUROXIME SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960967", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYPROHEPTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960967, "molecule_chembl_id": "CHEMBL1716", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.87", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROHEPTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956194", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARRY-797", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956194, "molecule_chembl_id": "CHEMBL1088750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ARRY-797"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960972", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960972, "molecule_chembl_id": "CHEMBL806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960975", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PA-799", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960975, "molecule_chembl_id": "CHEMBL1684984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.43", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CH5132799"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146420", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146420, "molecule_chembl_id": "CHEMBL388751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.64", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorphenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151544", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151544, "molecule_chembl_id": "CHEMBL3915519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.48", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RP-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCC(=O)O)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147042", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEIC ACID PHENETHYL ESTER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147042, "molecule_chembl_id": "CHEMBL319244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAFFEIC_acid PHENETHYL ESTER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146679", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146679, "molecule_chembl_id": "CHEMBL1628669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.19", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-213613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151187", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRATROPIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151187, "molecule_chembl_id": "CHEMBL2134724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IPRATROPIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151177", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENILSETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151177, "molecule_chembl_id": "CHEMBL2104853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenilsetam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCNC1c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151173", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXIFLURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151173, "molecule_chembl_id": "CHEMBL1130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "5-Fluorodeoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146533", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOTHIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146533, "molecule_chembl_id": "CHEMBL344760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "100.15", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOTHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151128", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151128, "molecule_chembl_id": "CHEMBL4303240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.28", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aesculin (Esculin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961358", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOSALICYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961358, "molecule_chembl_id": "CHEMBL119888", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.19", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiosalicylic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146137", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMPYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146137, "molecule_chembl_id": "CHEMBL388560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMPYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151060", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151060, "molecule_chembl_id": "CHEMBL177828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATROPINE OXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150976", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISKIREN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150976, "molecule_chembl_id": "CHEMBL1639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.77", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALISKIREN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146546", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORSEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146546, "molecule_chembl_id": "CHEMBL1148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TORSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146161", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146161, "molecule_chembl_id": "CHEMBL1568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.24", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM002548956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146380", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146380, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151196", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-NAPHTHOFLAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151196, "molecule_chembl_id": "CHEMBL26260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.30", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-NAPHTHOFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151313", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151313, "molecule_chembl_id": "CHEMBL1309552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.43", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5?-Androstenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146246", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146246, "molecule_chembl_id": "CHEMBL347496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.72", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EO-1428"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146247", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146247, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146617", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146617, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960993", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEGLUMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960993, "molecule_chembl_id": "CHEMBL1200570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "-3.36", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.173", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956220", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956220, "molecule_chembl_id": "CHEMBL4587433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Protein kinase inhibitors 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2c[nH]c(=O)c(-c3ccc(N4CCNCC4)nc3)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145986", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145986, "molecule_chembl_id": "CHEMBL1688966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.23", "alogp": "-2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Allopurinol riboside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150771", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150771, "molecule_chembl_id": "CHEMBL375563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.74", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(20S)-Protopanaxadiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150725", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150725, "molecule_chembl_id": "CHEMBL463978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.97", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT 2733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151067", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENDOMORPHIN 2", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151067, "molecule_chembl_id": "CHEMBL333357", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.68", "alogp": "1.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ENDOMORPHIN 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151449", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151449, "molecule_chembl_id": "CHEMBL4564923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "804.03", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TACROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146949", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146949, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVAMISOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146962", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146962, "molecule_chembl_id": "CHEMBL1332361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149165", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149165, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYRAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152027", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152027, "molecule_chembl_id": "CHEMBL1446039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.30", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-296623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NC2=NCCS2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151865", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINOLONE ACETONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151865, "molecule_chembl_id": "CHEMBL989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.49", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluocinolone acetonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147298", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCH-900776", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147298, "molecule_chembl_id": "CHEMBL2386889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.26", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-8776"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151380", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151380, "molecule_chembl_id": "CHEMBL4303573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.35", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISRIB (trans-isomer)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147073", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147073, "molecule_chembl_id": "CHEMBL193093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IKK-2-inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1sc(-c2ccsc2)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148794", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148794, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULINDAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151965", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151965, "molecule_chembl_id": "CHEMBL261491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Go 6983"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148804", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTRECTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148804, "molecule_chembl_id": "CHEMBL1983268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.65", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Entrectinib (RXDX-101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151641", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151641, "molecule_chembl_id": "CHEMBL4303163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBiPES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2ccc(C#N)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146549", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146549, "molecule_chembl_id": "CHEMBL198997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-261066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1nc(-c2ccc(C(=O)O)c(F)c2)sc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151070", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151070, "molecule_chembl_id": "CHEMBL4303710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.38", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-07662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2ccccc2c1CNC(=O)NCc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151282", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFLUMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151282, "molecule_chembl_id": "CHEMBL63323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFLUMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146049", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146049, "molecule_chembl_id": "CHEMBL1200809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.37", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELASTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151135", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONTELUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151135, "molecule_chembl_id": "CHEMBL787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "586.20", "alogp": "8.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MONTELUKAST SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147023", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Y-27632", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147023, "molecule_chembl_id": "CHEMBL559147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.34", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150663", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BASIMGLURANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150663, "molecule_chembl_id": "CHEMBL3301626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.77", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Basimglurant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150454", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150454, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lidoflazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146699", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146699, "molecule_chembl_id": "CHEMBL4303689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.33", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2(c3ccccc3F)CCC(F)(F)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151204", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151204, "molecule_chembl_id": "CHEMBL2103870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.41", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumacaftor\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151317", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151317, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151251", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151251, "molecule_chembl_id": "CHEMBL1433489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.40", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KB-R7943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151260", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151260, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOFARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146758", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146758, "molecule_chembl_id": "CHEMBL511115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cilomilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151306", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELAGOLIX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151306, "molecule_chembl_id": "CHEMBL1208155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.60", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Elagolix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150434", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPURVALANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150434, "molecule_chembl_id": "CHEMBL286721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.92", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminopurvalanol-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145936", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXOFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145936, "molecule_chembl_id": "CHEMBL1527608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOXOFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146548", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146548, "molecule_chembl_id": "CHEMBL1990168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.72", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTB1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150526", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRENOTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150526, "molecule_chembl_id": "CHEMBL485683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrenosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146819", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANAVANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146819, "molecule_chembl_id": "CHEMBL443732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "-2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Canavanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NOCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146829", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICRONOMICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146829, "molecule_chembl_id": "CHEMBL373081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.58", "alogp": "-3.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Micronomicin Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146831", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146831, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "teriflunomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150538", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARACEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150538, "molecule_chembl_id": "CHEMBL9116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "-0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caracemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)ON(C(C)=O)C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150542", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBUCAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150542, "molecule_chembl_id": "CHEMBL1086", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.47", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIBUCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151069", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151069, "molecule_chembl_id": "CHEMBL1374426", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCN1C(=O)C=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145938", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145938, "molecule_chembl_id": "CHEMBL4303426", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.40", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(1;2-Diphenylethyl)piperidine-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CC(c2ccccc2)N2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146105", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146105, "molecule_chembl_id": "CHEMBL1673046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-92"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146437", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146437, "molecule_chembl_id": "CHEMBL2139257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.90", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITOPRIDE  HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146442", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146442, "molecule_chembl_id": "CHEMBL4591711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ12260493"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccccc2)S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146446", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVERINE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146446, "molecule_chembl_id": "CHEMBL1408594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALVERINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146452", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146452, "molecule_chembl_id": "CHEMBL4303349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-({6-[(3-hydroxyphenyl)amino]pyridazin-3-yl}amino)phenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151353", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENELIGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151353, "molecule_chembl_id": "CHEMBL2147777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Teneligliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146422", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146422, "molecule_chembl_id": "CHEMBL1400561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVETIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146166", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL DIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146166, "molecule_chembl_id": "CHEMBL1200598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.31", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "3-Hexene-3;4-diylbis(4;1-phenylene)bis[dihydrogen (phosphate)]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146382", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAVERIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146382, "molecule_chembl_id": "CHEMBL19633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIAVERIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2cnc(N)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146809", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146809, "molecule_chembl_id": "CHEMBL1715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.91", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIOGLITAZONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956192", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYROSOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956192, "molecule_chembl_id": "CHEMBL53566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.17", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYROSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151521", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151521, "molecule_chembl_id": "CHEMBL2348501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.82", "alogp": "4.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-657510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147032", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147032, "molecule_chembl_id": "CHEMBL1552719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.53", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-74"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146484", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146484, "molecule_chembl_id": "CHEMBL457530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "asymmetrical-dimethylarginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146245", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146245, "molecule_chembl_id": "CHEMBL1256863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-carboxamidotryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146739", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146739, "molecule_chembl_id": "CHEMBL367808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.14", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BIRT-377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956210", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORANTRANILIPROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956210, "molecule_chembl_id": "CHEMBL399318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.15", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORANTRANILIPROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150968", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150968, "molecule_chembl_id": "CHEMBL1340458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.22", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sal003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150899", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150899, "molecule_chembl_id": "CHEMBL212414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.45", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Integrin Antagonists 27"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)CN2C(=O)N/C(=C\\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146100", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146100, "molecule_chembl_id": "CHEMBL15927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.48", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "oleamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146807", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NUCLOMEDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146807, "molecule_chembl_id": "CHEMBL2106465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.76", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nuclomedone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150444", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRANTEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150444, "molecule_chembl_id": "CHEMBL1626223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.31", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrantel pamoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146669", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146669, "molecule_chembl_id": "CHEMBL214957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.01", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-803430"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146585", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146585, "molecule_chembl_id": "CHEMBL265628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.42", "alogp": "-4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Arg-Gly-Asp-Ser"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146418", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146418, "molecule_chembl_id": "CHEMBL3342358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.91", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPR39-C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150568", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150568, "molecule_chembl_id": "CHEMBL10332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.25", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RX-821002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1(C2=NCCN2)COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146075", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTOCHLOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146075, "molecule_chembl_id": "CHEMBL4297275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.67", "alogp": "-0.88", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "5-chloro-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150585", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150585, "molecule_chembl_id": "CHEMBL4303545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.60", "alogp": "1.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-756050"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150944", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEROPENEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150944, "molecule_chembl_id": "CHEMBL127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mero"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146139", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146139, "molecule_chembl_id": "CHEMBL4579886", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.46", "alogp": "1.03", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "3,5-Dicaffeoylquinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151007", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151007, "molecule_chembl_id": "CHEMBL358150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofibrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150913", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICRYNAFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150913, "molecule_chembl_id": "CHEMBL267744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.18", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tienilic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146062", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW632580X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146062, "molecule_chembl_id": "CHEMBL261849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW2580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151232", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151232, "molecule_chembl_id": "CHEMBL4303389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.44", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ilginatinib hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc(-c2cnn(C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150981", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150981, "molecule_chembl_id": "CHEMBL160723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.38", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NIDA-41020"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150985", "_score": 6.4420605, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150985, "molecule_chembl_id": "CHEMBL4072005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835448", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXICILLIN SODIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835448, "molecule_chembl_id": "CHEMBL2105950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.39", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amoxicillin Sodium, Amoxycillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05468", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830748", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFAMPRIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830748, "molecule_chembl_id": "CHEMBL354077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDINE-3,4-DIAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835452", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANIDULAFUNGIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835452, "molecule_chembl_id": "CHEMBL264241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Anidulafungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1907", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830552", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830552, "molecule_chembl_id": "CHEMBL128000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.26", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835631", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRIZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835631, "molecule_chembl_id": "CHEMBL1411693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "epirizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2407", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)nc(-n2nc(C)cc2OC)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830383", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830383, "molecule_chembl_id": "CHEMBL98869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.84", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UAMC-00039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830234", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-ALPHA-TOCOPHERYL SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830234, "molecule_chembl_id": "CHEMBL81421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.79", "alogp": "8.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "D-ALPHA-TOCOPHERYL SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835097", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETIPTILINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835097, "molecule_chembl_id": "CHEMBL2104895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "setiptiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)c1ccccc1Cc1ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835216", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COBIMETINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835216, "molecule_chembl_id": "CHEMBL2146883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.32", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cobimetinib, Cobimetinib (GDC-0973, RG7420), GDC-0973, RG7420"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830315", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENELZINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830315, "molecule_chembl_id": "CHEMBL1200895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENELZINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834949", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCAFTADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834949, "molecule_chembl_id": "CHEMBL1201747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alcaftadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08654", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830318", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDARABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830318, "molecule_chembl_id": "CHEMBL1090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VIDARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830246", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIP HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830246, "molecule_chembl_id": "CHEMBL1255746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.60", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABOXADOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1noc2c1CCNC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835354", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAROPITANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835354, "molecule_chembl_id": "CHEMBL2111099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.69", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "maropitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04728", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830366", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDARUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830366, "molecule_chembl_id": "CHEMBL1200976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "533.96", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDARUBICIN HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835399", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835399, "molecule_chembl_id": "CHEMBL965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.20", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbachol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06455", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830319", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830319, "molecule_chembl_id": "CHEMBL90593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRASTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835035", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTILONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835035, "molecule_chembl_id": "CHEMBL1433361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.67", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Otilonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1331", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835411", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARACHLOROPHENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835411, "molecule_chembl_id": "CHEMBL57053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.56", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Chlorophenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830536", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZIMILIDE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830536, "molecule_chembl_id": "CHEMBL3140370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.88", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZIMILIDE (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835418", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835418, "molecule_chembl_id": "CHEMBL1566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Acarbose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1888", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830715", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830715, "molecule_chembl_id": "CHEMBL351772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.79", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-168049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830544", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHISOQUIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830544, "molecule_chembl_id": "CHEMBL1533364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.85", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHISOQUIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835254", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDOXUDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835254, "molecule_chembl_id": "CHEMBL318153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "-1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "edoxudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06754", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831510", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NECA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831510, "molecule_chembl_id": "CHEMBL464859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.30", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835870", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROMOLYN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835870, "molecule_chembl_id": "CHEMBL428880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.37", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cromolyn"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1049", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831088", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOGLIPTIN BENZOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831088, "molecule_chembl_id": "CHEMBL227529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.52", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOGLIPTIN BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827253", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEQUITAZINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827253, "molecule_chembl_id": "CHEMBL73451", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27340.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832212", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832212, "molecule_chembl_id": "CHEMBL1256919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.40", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDRASTINE (1R, 9S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831868, "molecule_chembl_id": "CHEMBL1088844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.45", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DPO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839002", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RIMCAZOLE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839002, "molecule_chembl_id": "CHEMBL275707", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "321.47", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.24", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831819", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPECITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831819, "molecule_chembl_id": "CHEMBL1773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPECITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838694", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "WEAK/INCONCLUSIVE CURVE DOESN'T SATURATE AT 20 UM", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838694, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "249.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827296", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LANATOSIDE C", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827296, "molecule_chembl_id": "CHEMBL506569", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Lanotoside C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834470", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834470, "molecule_chembl_id": "CHEMBL500576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "680.76", "alogp": "9.76", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "TEMOPORFIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)CC4)C=C3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834486", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834486, "molecule_chembl_id": "CHEMBL4303238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.54", "alogp": "-1.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EB-47"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836153", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICOTINYL ALCOHOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836153, "molecule_chembl_id": "CHEMBL1235535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nicotinyl alcohol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2034", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834496", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CISPLATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834496, "molecule_chembl_id": "CHEMBL2068237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CISPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827240", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827240, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eltombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839033", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL CURVE NOT SATURATED AT 20 UM, 30%  VIABILITIY WITH IC50 ~ 1 NM? (MAYBE OFF TARGET EFFECT?) ", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839033, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK128; 73"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.907", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834159", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834159, "molecule_chembl_id": "CHEMBL1204779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.40", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DODECYL-SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831754", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLE-3-BUTYRIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831754, "molecule_chembl_id": "CHEMBL582878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-INDOLEBUTYRIC ACID (IBA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831378", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVANIB ALANINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831378, "molecule_chembl_id": "CHEMBL270995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BRIVANIB ALANINATE (BMS-582664)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831381", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831381, "molecule_chembl_id": "CHEMBL429910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831586", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831586, "molecule_chembl_id": "CHEMBL482834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.40", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-784168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836459", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.209474978,0.146520518)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINOCYCLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836459, "molecule_chembl_id": "CHEMBL1434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.48", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Minocycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836161", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENSULIZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836161, "molecule_chembl_id": "CHEMBL1987518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenylbenzimidazole-sulfonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831120", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831120, "molecule_chembl_id": "CHEMBL265628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.42", "alogp": "-4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ARG-GLY-ASP-SER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836288", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836288, "molecule_chembl_id": "CHEMBL941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.62", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828231", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1R,2S-MILNACIPRAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828231, "molecule_chembl_id": "CHEMBL1237129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.81", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Milnacipran hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832507", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832507, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832867", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832867, "molecule_chembl_id": "CHEMBL2070953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.60", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829804", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2S,4R-4-METHYLGLUTAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829804, "molecule_chembl_id": "CHEMBL288166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.16", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYM 2081"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834505", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834505, "molecule_chembl_id": "CHEMBL4303384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.54", "alogp": "4.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY 87-2243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828808", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELENZEPINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828808, "molecule_chembl_id": "CHEMBL1257109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.40", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Telenzepine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03607", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832880", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832880, "molecule_chembl_id": "CHEMBL2093950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-DEAZAADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFONIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832868, "molecule_chembl_id": "CHEMBL2074922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.67", "alogp": "7.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EFONIDIPINE-MONOETHANOLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828899", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828899, "molecule_chembl_id": "CHEMBL4303208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.57", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ecabet sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2.O.O.O.O.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828816", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENLAFAXINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828816, "molecule_chembl_id": "CHEMBL637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Venlafaxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832943", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLIMIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832943, "molecule_chembl_id": "CHEMBL2105534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOLIMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832671", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832671, "molecule_chembl_id": "CHEMBL1743359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZILEUTON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832576", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832576, "molecule_chembl_id": "CHEMBL1555751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.89", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832599", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832599, "molecule_chembl_id": "CHEMBL1643976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.96", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827963", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827963, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tenatoprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828235", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISURIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828235, "molecule_chembl_id": "CHEMBL157138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.46", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisuride (S)(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5044", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831297", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDACLOPRID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831297, "molecule_chembl_id": "CHEMBL406819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.66", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMIDACLOPRID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831708", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831708, "molecule_chembl_id": "CHEMBL564131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.90", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CATHEPSIN INHIBITOR 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838706", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838706, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831117", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831117, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG 487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831657", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLPARABEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831657, "molecule_chembl_id": "CHEMBL459008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYL PARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835110", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835110, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulindac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834561", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IT-139", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834561, "molecule_chembl_id": "CHEMBL4297410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.15", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "image_file": "metalContaining.svg", "compound_key": "NKP-1339"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834365", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834365, "molecule_chembl_id": "CHEMBL4303445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.39", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-27141491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)OC)c(-c2ccno2)[nH]c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829872", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANFACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829872, "molecule_chembl_id": "CHEMBL1200494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.56", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANFACINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834695", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.67 \u00b1 0.3", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.78", "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834695, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1670.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835036", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIBENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835036, "molecule_chembl_id": "CHEMBL1087630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxibendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835231", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESIPRAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835231, "molecule_chembl_id": "CHEMBL72", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desipramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830735", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORAFENIB TOSYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830735, "molecule_chembl_id": "CHEMBL1200485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.04", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830346", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830346, "molecule_chembl_id": "CHEMBL94841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.66", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-(4CHLOROPHENYL)-4-ETHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(O)nnc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835443", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMCINONIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835443, "molecule_chembl_id": "CHEMBL1200732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "amcinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830084", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830084, "molecule_chembl_id": "CHEMBL3116252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "597.67", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOFEQUIDAR (FUMARATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830269", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEOXYMANNOJIRIMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830269, "molecule_chembl_id": "CHEMBL84844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-DEOXYMANNOJIRIMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835289", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSFOMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835289, "molecule_chembl_id": "CHEMBL1757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.06", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fosfomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H]1P(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835295", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANCICLOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835295, "molecule_chembl_id": "CHEMBL182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ganciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1061", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COC(CO)CO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835293", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAPENTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835293, "molecule_chembl_id": "CHEMBL940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gabapentin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1022", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835306", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835306, "molecule_chembl_id": "CHEMBL398412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.03", "alogp": "2.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ginsenoside-rg3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830065", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830065, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID26747681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835627", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835627, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Efavirenz"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835625", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROXIDOPA", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835625, "molecule_chembl_id": "CHEMBL2103827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.19", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "droxidopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830706", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOBUTYRAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830706, "molecule_chembl_id": "CHEMBL352219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "87.12", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOBUTYRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830223", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CTS-1027", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830223, "molecule_chembl_id": "CHEMBL440498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.89", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CTS-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830592", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAPIDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830592, "molecule_chembl_id": "CHEMBL132767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.26", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRAPIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1cc(C)nc2ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830927", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830927, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "POSACONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "106.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836180", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROMIDEPSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836180, "molecule_chembl_id": "CHEMBL343448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.71", "alogp": "1.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "romidepsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3756", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831000", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831000, "molecule_chembl_id": "CHEMBL1421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.02", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DASATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831087", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831087, "molecule_chembl_id": "CHEMBL428462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AT7867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831104", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831104, "molecule_chembl_id": "CHEMBL229264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.72", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-564929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830931", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830931, "molecule_chembl_id": "CHEMBL373250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.41", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-838417"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831497", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831497, "molecule_chembl_id": "CHEMBL514622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.45", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JK-184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836168", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIRACETAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836168, "molecule_chembl_id": "CHEMBL159776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pramiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1027", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831123, "molecule_chembl_id": "CHEMBL242004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.58", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SNAP-94847"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831818", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831818, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831461", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOTHENIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831461, "molecule_chembl_id": "CHEMBL1594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PANTOTHENIC ACID(D) NA SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827393", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827393, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42590.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838805", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838805, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "332.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838898", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARITAL/INCONCLUSIVE PARTIAL INHIBITION, INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.55", "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838898, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2818.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831860", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831860, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838806", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838806, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.661", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835965", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETORICOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835965, "molecule_chembl_id": "CHEMBL416146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.85", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etoricoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06952", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831545", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831545, "molecule_chembl_id": "CHEMBL492572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.98", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0155069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831601", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLISTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831601, "molecule_chembl_id": "CHEMBL499783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1155.45", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "COLISTIN (SULFATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836156", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836156, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nilvadipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06379", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831522", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831522, "molecule_chembl_id": "CHEMBL1200795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.97", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831001", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831001, "molecule_chembl_id": "CHEMBL426161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.95", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZM-475271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831523", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831523, "molecule_chembl_id": "CHEMBL492884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.35", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF10460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831006", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831006, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIMOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835878", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANNITOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835878, "molecule_chembl_id": "CHEMBL689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-3.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "D-Mannitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831528", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXYLRESORCINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831528, "molecule_chembl_id": "CHEMBL443605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.27", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HEXYLRESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831939", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMIPHEN BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831939, "molecule_chembl_id": "CHEMBL486696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DOMIPHEN BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827192", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.08", "bao_label": "organism-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827192, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eltombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8270.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827473", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827473, "molecule_chembl_id": "CHEMBL1201061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levalbuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832189", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832189, "molecule_chembl_id": "CHEMBL1241767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.54", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836478", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836478, "molecule_chembl_id": "CHEMBL348639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenylpiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1266", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(c2ccccc2)CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832631", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832631, "molecule_chembl_id": "CHEMBL1698008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.26", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC697923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833161", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833161, "molecule_chembl_id": "CHEMBL2381340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.82", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XMD17-109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETAFENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832650, "molecule_chembl_id": "CHEMBL1736151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETAFENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829481", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829481, "molecule_chembl_id": "CHEMBL1200492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.48", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834182", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834182, "molecule_chembl_id": "CHEMBL1414870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.29", "alogp": "1.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMBAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N=Nc1ccc(NNC(=N)S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828140", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARVEDILOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828140, "molecule_chembl_id": "CHEMBL723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carvedilol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828168", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828168, "molecule_chembl_id": "CHEMBL888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.20", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829143", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAIDZEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829143, "molecule_chembl_id": "CHEMBL8145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DAIDZEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832697", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMECAMTIV MECARBIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832697, "molecule_chembl_id": "CHEMBL1800955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OMECAMTIV MECARBIL (CK-1827452)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833593", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833593, "molecule_chembl_id": "CHEMBL3039366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMADINONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827563", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINASTERIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827563, "molecule_chembl_id": "CHEMBL710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.55", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Finasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832267", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYOSCYAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832267, "molecule_chembl_id": "CHEMBL1331216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.37", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYOSCYAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827571", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALSALAZIDE DISODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827571, "molecule_chembl_id": "CHEMBL1200760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.29", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Balsalazide disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1124", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831706", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831706, "molecule_chembl_id": "CHEMBL559525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.81", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMN-355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1Cl)NC1c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831713", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTAXIME SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831713, "molecule_chembl_id": "CHEMBL1010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "-0.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFOTAXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838718", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838718, "molecule_chembl_id": "CHEMBL130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.13", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloramphenicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838723", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2b adrenergic receptor", "pchembl_value": "4.50", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303096", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1942", "activity_id": 18838723, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31622.78", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "-0.31", "sei": "15.98", "bei": "14.07", "le": "0.28"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831776", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831776, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOFARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827224", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827224, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833496", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833496, "molecule_chembl_id": "CHEMBL3769507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.56", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BRD9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836562", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.227617003,0.020958197)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAVIPIRAVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836562, "molecule_chembl_id": "CHEMBL221722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.10", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Favipiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(F)cnc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833849", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIVACURIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833849, "molecule_chembl_id": "CHEMBL984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1100.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "MIVACURIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832166", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SGX-523", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832166, "molecule_chembl_id": "CHEMBL1236107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGX-523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827363", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.33", "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827363, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827517", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827517, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sertindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832087", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRINDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832087, "molecule_chembl_id": "CHEMBL2104501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.96", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APRINDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839037", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE IC50 == CC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839037, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Silmitasertib (CX-4945)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "225.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839038", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE IC50 == CC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839038, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Silmitasertib (CX-4945)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827484", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827484, "molecule_chembl_id": "CHEMBL297362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xylazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2001", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC1=NCCCS1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838803", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838803, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.248", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827248", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LANATOSIDE C", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827248, "molecule_chembl_id": "CHEMBL506569", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Lanotoside C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827869", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOBENZAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827869, "molecule_chembl_id": "CHEMBL1200636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.86", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclobenzaprine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829262", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRILAMINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829262, "molecule_chembl_id": "CHEMBL1201006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRILAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829766", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOZOLOMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829766, "molecule_chembl_id": "CHEMBL810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.15", "alogp": "-2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TEMOZOLOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc2c(C(N)=O)ncn2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838935", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK ACTIVITY/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838935, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.134", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832305", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832305, "molecule_chembl_id": "CHEMBL1361347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.85", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832353", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832353, "molecule_chembl_id": "CHEMBL1410015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IU1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832762", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832762, "molecule_chembl_id": "CHEMBL2017620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.44", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK2-IN-1 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832491", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832491, "molecule_chembl_id": "CHEMBL1552719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.53", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-74"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827790", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASCORBIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827790, "molecule_chembl_id": "CHEMBL196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ascorbic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C(O)=C1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833726", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833726, "molecule_chembl_id": "CHEMBL4303166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CENTPROPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836474", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836474, "molecule_chembl_id": "CHEMBL4303408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.72", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminolevulinic-acid-benzyl-ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)CCC(=O)OCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828601", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828601, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclosan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838983", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838983, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SID11111705"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "233.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834162", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834162, "molecule_chembl_id": "CHEMBL4303347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.60", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AT-1015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CN1CCC(C(=O)NCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827874", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827874, "molecule_chembl_id": "CHEMBL1896987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.84", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alizapride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832910", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAROXAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832910, "molecule_chembl_id": "CHEMBL2104164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.20", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAROXAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1Cc2ccccc2OC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828445", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENZEPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828445, "molecule_chembl_id": "CHEMBL1531864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.33", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirenzepine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833148", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRARUBICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833148, "molecule_chembl_id": "CHEMBL2354444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.64", "alogp": "1.55", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "PIRARUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829080", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFANILAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829080, "molecule_chembl_id": "CHEMBL21", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFANILAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832685", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832685, "molecule_chembl_id": "CHEMBL1775048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONCRASIN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832617", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832617, "molecule_chembl_id": "CHEMBL1672354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.38", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-5046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828048", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVOXAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828048, "molecule_chembl_id": "CHEMBL1409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluvoxamine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3539", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833842", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALOFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833842, "molecule_chembl_id": "CHEMBL1210954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BALOFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRAGLUTIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833846, "molecule_chembl_id": "CHEMBL4524066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "3753.28", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "LIRAGLUTIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829762", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829762, "molecule_chembl_id": "CHEMBL37312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.41", "alogp": "6.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY225910"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827598", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYLAMINE SUCCINATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827598, "molecule_chembl_id": "CHEMBL1200392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.46", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doxylamine succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827590", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDOXURIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827590, "molecule_chembl_id": "CHEMBL788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.10", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idoxuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01139", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829135", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAUROSPORINE AGLYCON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829135, "molecule_chembl_id": "CHEMBL268368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.33", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARCYRIAFLAVIN-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829000", "_score": 6.4354205, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829000, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Omeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828692", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEKANAMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828692, "molecule_chembl_id": "CHEMBL176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.52", "alogp": "-7.33", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Kanamycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03088", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827787", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827787, "molecule_chembl_id": "CHEMBL3890185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1457.40", "alogp": "-8.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Streptomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832493", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832493, "molecule_chembl_id": "CHEMBL1553155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.31", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COMPOUND-W"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832495", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832495, "molecule_chembl_id": "CHEMBL1554187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.62", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYTOCHALASIN B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827791", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPA", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827791, "molecule_chembl_id": "CHEMBL459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(L) Methyldopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833113", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUCITANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833113, "molecule_chembl_id": "CHEMBL2220486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.50", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LUCITANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833301", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833301, "molecule_chembl_id": "CHEMBL3264245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRAZIQUANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833310", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833310, "molecule_chembl_id": "CHEMBL3287036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.47", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K145 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC/C=C2\\SC(=O)N(CCN)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828610", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDOSTEINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828610, "molecule_chembl_id": "CHEMBL1697744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erdosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSCC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827317", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827317, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.82", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832317", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENOXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832317, "molecule_chembl_id": "CHEMBL1372341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.25", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRENOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838884", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838884, "molecule_chembl_id": "CHEMBL4226570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1002.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "160.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836567", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.340568629,0.138740278)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COBICISTAT", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836567, "molecule_chembl_id": "CHEMBL2095208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.04", "alogp": "6.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cobicistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827163", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.21", "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827163, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "620.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831283", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCHROMYCINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831283, "molecule_chembl_id": "CHEMBL256705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "OCHROMYCINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836383", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836383, "molecule_chembl_id": "CHEMBL1201014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prednisolone-sodium-phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07703", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831512", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831512, "molecule_chembl_id": "CHEMBL504548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.77", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASENAPINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830995", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTEBEREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830995, "molecule_chembl_id": "CHEMBL278703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ERTEBEREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831617", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831617, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "COT INHIBITOR-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831700", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831700, "molecule_chembl_id": "CHEMBL560895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.49", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNX-2112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831909", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3-HYDROXYBUTYRIC ACID, (+/-)-", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831909, "molecule_chembl_id": "CHEMBL1162496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "104.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BETA-HYDROXYBUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831632", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831632, "molecule_chembl_id": "CHEMBL517986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.77", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID90341436"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838664", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838664, "molecule_chembl_id": "CHEMBL254578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834071", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENIDAP", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834071, "molecule_chembl_id": "CHEMBL1908355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.76", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TENIDAP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1C(=O)/C(=C(\\O)c2cccs2)c2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829453", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOMASTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829453, "molecule_chembl_id": "CHEMBL19611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ILOMASTAT (GM6001, GALARDIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828608", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIMBAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828608, "molecule_chembl_id": "CHEMBL1437764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.77", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Climbazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5982", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836417", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836417, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bexarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827908", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827908, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.112", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834056", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCURONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834056, "molecule_chembl_id": "CHEMBL3188339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "737.82", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ALCURONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\\CO)C2)[C@H]54)[C@@H]69.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832548", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-285", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832548, "molecule_chembl_id": "CHEMBL1614725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.97", "alogp": "5.92", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "TAK-285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834060, "molecule_chembl_id": "CHEMBL4303576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.49", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIBENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827911", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMIVAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827911, "molecule_chembl_id": "CHEMBL1229908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethamivan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(O)c(OC)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828139", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828139, "molecule_chembl_id": "CHEMBL113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Caffeine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833588", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833588, "molecule_chembl_id": "CHEMBL4303154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.52", "alogp": "-0.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "OLEUROPEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827566", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827566, "molecule_chembl_id": "CHEMBL1567296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.79", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isopyrin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04982", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838921", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.17", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838921, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "677.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832643", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAXETAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832643, "molecule_chembl_id": "CHEMBL1721515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "-2.45", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GADOTERATE-MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834150", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834150, "molecule_chembl_id": "CHEMBL4303603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.35", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PK-44 PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1n[nH]c2c(F)c(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832546", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832546, "molecule_chembl_id": "CHEMBL1614712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.56", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-AEW541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832037", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832037, "molecule_chembl_id": "CHEMBL1200776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.88", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMG-073 HCL (CINACALCET HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831551", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIGUSTILIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831551, "molecule_chembl_id": "CHEMBL481246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIGUSTILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/C=C1\\OC(=O)C2=C1CCC=C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831496", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831496, "molecule_chembl_id": "CHEMBL480889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "550.70", "alogp": "3.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CUR-61414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831561", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831561, "molecule_chembl_id": "CHEMBL1376064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.82", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836311", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KINETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836311, "molecule_chembl_id": "CHEMBL228792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.22", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Kinetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2348", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(CNc2ncnc3[nH]cnc23)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831443", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESTOLACTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831443, "molecule_chembl_id": "CHEMBL1571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TESTOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836227", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOTOIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836227, "molecule_chembl_id": "CHEMBL1095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ethotoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836436", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836436, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ezetimibe"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04755", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836237", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836237, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fipronil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836255", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSAPREPITANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836255, "molecule_chembl_id": "CHEMBL1199324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.41", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fosaprepitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.000417", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832000", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832000, "molecule_chembl_id": "CHEMBL1201010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.49", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836333", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMERIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836333, "molecule_chembl_id": "CHEMBL29188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.54", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lomerizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04979", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831463", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831463, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOFUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831466", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFONICID SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831466, "molecule_chembl_id": "CHEMBL1201005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "586.54", "alogp": "-0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFONICID (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831470", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831470, "molecule_chembl_id": "CHEMBL473104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NNC-711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836344", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836344, "molecule_chembl_id": "CHEMBL650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methylprednisolone ( U 7532)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1629", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836347", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836347, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mizoribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1019", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831476", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSTEVIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831476, "molecule_chembl_id": "CHEMBL462653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.46", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOSTEVIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827312", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827312, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.19", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827623", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULPIRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827623, "molecule_chembl_id": "CHEMBL26", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulpiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0437", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827624", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENOXINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827624, "molecule_chembl_id": "CHEMBL1200654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.88", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benoxinate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.193", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827630", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXSUPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827630, "molecule_chembl_id": "CHEMBL559180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isoxsuprine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827635", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBUCAINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827635, "molecule_chembl_id": "CHEMBL1086", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.47", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dibucaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832340", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLSULPHONATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832340, "molecule_chembl_id": "CHEMBL3989534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.19", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-PHENOLSULFONIC ACID, SODIUM SALT DIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O.O=S(=O)([O-])c1ccc(O)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827544", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827544, "molecule_chembl_id": "CHEMBL1200336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.84", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tramadol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.004515", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832249", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832249, "molecule_chembl_id": "CHEMBL1318259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.47", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CSC(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827553", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMETAZOLE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827553, "molecule_chembl_id": "CHEMBL1201118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.53", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefmetazole sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04573", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827556", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOPRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827556, "molecule_chembl_id": "CHEMBL399510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.25", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Bromopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827558", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLPYRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827558, "molecule_chembl_id": "CHEMBL1564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.86", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphenylpyraline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828226", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALONOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828226, "molecule_chembl_id": "CHEMBL1720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.88", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Palonosetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-7603", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833133, "molecule_chembl_id": "CHEMBL2331680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.56", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0349"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834478", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834478, "molecule_chembl_id": "CHEMBL4303666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAROVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN1C(=O)C(=Cc2ccc(OC)cc2)Nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829794", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBINAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829794, "molecule_chembl_id": "CHEMBL1200832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.90", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBINAFINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834494", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834494, "molecule_chembl_id": "CHEMBL4289017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.49", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-03814735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836040", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMETINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836040, "molecule_chembl_id": "CHEMBL2103875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.40", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Trametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831773", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-548", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831773, "molecule_chembl_id": "CHEMBL585902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.57", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AMG-548"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831639", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOPERAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831639, "molecule_chembl_id": "CHEMBL507674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.68", "alogp": "-1.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOPERAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCAFTADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832060, "molecule_chembl_id": "CHEMBL1201747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALCAFTADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827358", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827358, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21210.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832163", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICOTINYL TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832163, "molecule_chembl_id": "CHEMBL1324760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.21", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICOTINYL ALCOHOL TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832849", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXNIGULDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832849, "molecule_chembl_id": "CHEMBL2051956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.72", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DEXNIGULDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832855", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULISOBENZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832855, "molecule_chembl_id": "CHEMBL2059073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULISOBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834339", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834339, "molecule_chembl_id": "CHEMBL4303500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-847325"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(CN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829639", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829639, "molecule_chembl_id": "CHEMBL29411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THYMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832272", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUSAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832272, "molecule_chembl_id": "CHEMBL1332032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIFLUSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827260", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PERHEXILINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827260, "molecule_chembl_id": "CHEMBL75880", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Perhexiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8670.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834345", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834345, "molecule_chembl_id": "CHEMBL4303586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PDE10-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C)n2nc([C@@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834353", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834353, "molecule_chembl_id": "CHEMBL4303625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-118804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4cccnc4)cc3)oc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827275", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BERBAMINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827275, "molecule_chembl_id": "CHEMBL504323", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "608.74", "alogp": "6.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Berbamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.35", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831979", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARICALCITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831979, "molecule_chembl_id": "CHEMBL1200622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PARICALCITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827701", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPYRONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827701, "molecule_chembl_id": "CHEMBL1165011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampyrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834461", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXALOACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834461, "molecule_chembl_id": "CHEMBL1794791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.07", "alogp": "-0.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OXALOACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832300", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832300, "molecule_chembl_id": "CHEMBL1358012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPIROXATRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(C[C@H]1COc3ccccc3O1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834464", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834464, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827286", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DRONEDARONE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827286, "molecule_chembl_id": "CHEMBL184412", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "556.77", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836473", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACLOFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836473, "molecule_chembl_id": "CHEMBL701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)-baclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827646", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827646, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Disulfiram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831675", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831675, "molecule_chembl_id": "CHEMBL2105358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RACTOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831769", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831769, "molecule_chembl_id": "CHEMBL570841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.25", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1NC(=O)/C(=C/c2ccc(O)cc2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836509", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYSTEAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836509, "molecule_chembl_id": "CHEMBL602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "77.15", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cysteamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCS", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831137", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCYTOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831137, "molecule_chembl_id": "CHEMBL1463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.09", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUCYTOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1[nH]c(=O)ncc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831144", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLOPURINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831144, "molecule_chembl_id": "CHEMBL1467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALLOPURINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2[nH][nH]cc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830945", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NETUPITANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830945, "molecule_chembl_id": "CHEMBL206253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.60", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NETUPITANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831153", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831153, "molecule_chembl_id": "CHEMBL394875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.19", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-METHYLCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829379", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOCAINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829379, "molecule_chembl_id": "CHEMBL278172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833770", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833770, "molecule_chembl_id": "CHEMBL1236027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.64", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPHINGOSYLPHOSPHORYLCHOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[P@](=O)(O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830006", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LONAFARNIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830006, "molecule_chembl_id": "CHEMBL298734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.83", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LONAFARNIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830270", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830270, "molecule_chembl_id": "CHEMBL1398351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.48", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABEXATE (MESYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830780", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830780, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TETRANDRINE (FANCHININE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835662", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835662, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ibudilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1885", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830273", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830273, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830491", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830491, "molecule_chembl_id": "CHEMBL1179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANYLCYPROMINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1C[C@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834927", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834927, "molecule_chembl_id": "CHEMBL1688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.83", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08141", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830393", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICYCLOMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830393, "molecule_chembl_id": "CHEMBL1200479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.96", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICYCLOMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830245", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830245, "molecule_chembl_id": "CHEMBL85251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.91", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-67333"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831114", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KINETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831114, "molecule_chembl_id": "CHEMBL228792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.22", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KINETIN (6-FURFURYLADENINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(CNc2ncnc3[nH]cnc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836387", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836387, "molecule_chembl_id": "CHEMBL4303219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Eplivanserin hemifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831500", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORIPENEM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831500, "molecule_chembl_id": "CHEMBL491571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DORIPENEM (MONOHYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830607", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830607, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LISINOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835126", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TECOVIRIMAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835126, "molecule_chembl_id": "CHEMBL1257073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tecovirimat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830408", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830408, "molecule_chembl_id": "CHEMBL104264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-89"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830446", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830446, "molecule_chembl_id": "CHEMBL321820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.62", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-123319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835156", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANDOLAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835156, "molecule_chembl_id": "CHEMBL1519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trandolapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3202", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835586", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILSICAINIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835586, "molecule_chembl_id": "CHEMBL163238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pilsicainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830685", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALSALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830685, "molecule_chembl_id": "CHEMBL154111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALSALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1C(=O)O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830567", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830567, "molecule_chembl_id": "CHEMBL1208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.22", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CINOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830568", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830568, "molecule_chembl_id": "CHEMBL1475038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.42", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARECAIDINE-PROPARGYL-ESTER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCOC(=O)C1=CCCN(C)C1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834963", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGLABIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834963, "molecule_chembl_id": "CHEMBL2206431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "arglabin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831024", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831024, "molecule_chembl_id": "CHEMBL375166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-C155858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831097", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831097, "molecule_chembl_id": "CHEMBL375270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.68", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-9662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830652, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REPAGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830253", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830253, "molecule_chembl_id": "CHEMBL1057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831101", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMCINOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831101, "molecule_chembl_id": "CHEMBL1451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.44", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIAMCINOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827288", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827288, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eltombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.05", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839034", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": "WEAK/INCONCLUSIVE VIRAL CURVE NOT SATURATED AT 20 UM, 30%  VIABILITIY WITH IC50 ~ 1 NM? (MAYBE OFF TARGET EFFECT?) ", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839034, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK128; 73"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "135831.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829004", "_score": 6.4354205, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829004, "molecule_chembl_id": "CHEMBL1256817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.30", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clemizole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827483", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOZOLOMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827483, "molecule_chembl_id": "CHEMBL810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.15", "alogp": "-2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Temozolomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc2c(C(N)=O)ncn2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833397", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833397, "molecule_chembl_id": "CHEMBL3526436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEBIVOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832160, "molecule_chembl_id": "CHEMBL1235116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHIKAN-083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(CNC)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832209", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832209, "molecule_chembl_id": "CHEMBL1256759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827576", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAZOLAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827576, "molecule_chembl_id": "CHEMBL20", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.25", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acetazolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827267", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIORIDAZINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827267, "molecule_chembl_id": "CHEMBL479", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "370.59", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thioridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15960.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838732", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838732, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.343", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832361", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832361, "molecule_chembl_id": "CHEMBL1413406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMPH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827510", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHISOQUIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827510, "molecule_chembl_id": "CHEMBL1533364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.85", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dimethisoquin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827512", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIORPHAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827512, "molecule_chembl_id": "CHEMBL10247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1554", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)C(CS)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827667", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827667, "molecule_chembl_id": "CHEMBL2028661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.54", "alogp": "4.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azilsartan medoxomil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833733", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833733, "molecule_chembl_id": "CHEMBL4303462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.61", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A12B4C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(O)C1C=CC2C(=O)N(c3ccccc3)C(=O)C2N1Nc1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827468", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827468, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Opipramol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838744", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M5", "pchembl_value": "7.56", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303777", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL2035", "activity_id": 18838744, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.54", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "2.46", "sei": "60.63", "bei": "21.98", "le": "0.43"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832173", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832173, "molecule_chembl_id": "CHEMBL1236620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.19", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KH-CB19"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(/C(C#N)=C\\N)c2ccc(Cl)c(Cl)c2n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832313", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832313, "molecule_chembl_id": "CHEMBL1368511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2nc(C3=NCCN3)cnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831850", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831850, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832086", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832086, "molecule_chembl_id": "CHEMBL1212994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.86", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU10010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832094", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832094, "molecule_chembl_id": "CHEMBL1213887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.36", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MONASTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833401", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREXASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833401, "molecule_chembl_id": "CHEMBL3544911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.40", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PREXASERTIB (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832161", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832161, "molecule_chembl_id": "CHEMBL1235119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.25", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC669"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831959", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSAPREPITANT DIMEGLUMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831959, "molecule_chembl_id": "CHEMBL1201782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1004.84", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FOSAPREPITANT DIMEGLUMINE SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827509", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827509, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aniracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01007", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827696", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECLOFENAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827696, "molecule_chembl_id": "CHEMBL93645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aceclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832289", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832289, "molecule_chembl_id": "CHEMBL1354363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-29.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836391", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMOTRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836391, "molecule_chembl_id": "CHEMBL1505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.47", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Almotriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836405", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836405, "molecule_chembl_id": "CHEMBL1208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.22", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cinoxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1945", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836414", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836414, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amidopyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836416", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LULICONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836416, "molecule_chembl_id": "CHEMBL2105689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.29", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Luliconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09705", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828210", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENPROBAMATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828210, "molecule_chembl_id": "CHEMBL1079576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenprobamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828415", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE DINITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828415, "molecule_chembl_id": "CHEMBL6622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isosorbide dinitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832917", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XENALIPIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832917, "molecule_chembl_id": "CHEMBL2104509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.22", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XENALIPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838808", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838808, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.675", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838811", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303778", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838811, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC90 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line by measuring infectious viral titer of supernatent from compound-treated Vero E6 cells by Median Tissue Culture Infectious Dose (TCID)50 by the method of Reed and Muench", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838905", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "PARITAL INHIBITION VIRAL INHIBITION GOES DOWN TO 50%", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838905, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "177.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838815", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2b adrenergic receptor", "pchembl_value": "4.14", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303096", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1942", "activity_id": 18838815, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72443.6", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.36", "sei": "8.56", "bei": "12.33", "le": "0.25"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838816", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2c adrenergic receptor", "pchembl_value": "4.80", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303088", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1916", "activity_id": 18838816, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15848.93", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.02", "sei": "9.92", "bei": "14.29", "le": "0.29"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831866", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NESBUVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831866, "molecule_chembl_id": "CHEMBL1092581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.50", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NESBUVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827257", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OUABAIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827257, "molecule_chembl_id": "CHEMBL1889436", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "728.78", "alogp": "-1.51", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Ouabain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRITIOZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832363, "molecule_chembl_id": "CHEMBL1414826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULMETOZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833732", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833732, "molecule_chembl_id": "CHEMBL4303561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.22", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2cccnc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829028", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829028, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834569", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAMOTOLISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834569, "molecule_chembl_id": "CHEMBL4297181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY3023414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834372", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834372, "molecule_chembl_id": "CHEMBL4303157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPIANDROSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829685", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPENEM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829685, "molecule_chembl_id": "CHEMBL148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.35", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIPENEM MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834395", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834395, "molecule_chembl_id": "CHEMBL4303246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "966.23", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ZOTAROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830247", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830247, "molecule_chembl_id": "CHEMBL1256772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TIAPRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835274", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835274, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "exalamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1514", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834955", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPROPION", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834955, "molecule_chembl_id": "CHEMBL894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.75", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amfebutamone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1506", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830249", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830249, "molecule_chembl_id": "CHEMBL312607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.21", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BL-5583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835628", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELIGLUSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835628, "molecule_chembl_id": "CHEMBL2110588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eliglustat Tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835630", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835630, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enrofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1246", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835408", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOBENZOIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835408, "molecule_chembl_id": "CHEMBL542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Aminobenzoic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2847", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830257", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830257, "molecule_chembl_id": "CHEMBL86313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.12", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-78608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCc1cc(Br)cc2nc(O)c(O)nc12)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830260", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830260, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-AMINOCHRYSENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829708", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLOROPHEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829708, "molecule_chembl_id": "CHEMBL33845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICHLOROPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834766", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.88 \u00b1 0.82", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834766, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "880.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834691", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.42 \u00b1 0.66", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.85", "bao_label": "organism-based format", "molecule_pref_name": "ALMITRINE MESYLATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834691, "molecule_chembl_id": "CHEMBL3181957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.78", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALMITRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1420.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834578", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834578, "molecule_chembl_id": "CHEMBL4303615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.66", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ERCALCITRIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834396", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOZOPRAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834396, "molecule_chembl_id": "CHEMBL1276663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.54", "alogp": "-2.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFOZOPRAN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829702", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829702, "molecule_chembl_id": "CHEMBL285718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-P-PDOT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834974", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENAZEPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834974, "molecule_chembl_id": "CHEMBL838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.50", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benazepril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.112", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830162", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830162, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETRAVIRINE (TMC125)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836527", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERGONOVINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836527, "molecule_chembl_id": "CHEMBL119443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ergonovine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836528", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXSUPRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836528, "molecule_chembl_id": "CHEMBL1197051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.39", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isoxsuprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0468", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836199", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEZACAFTOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836199, "molecule_chembl_id": "CHEMBL3544914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.50", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VX-661"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831761", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831761, "molecule_chembl_id": "CHEMBL565269", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-62247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836453", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURSOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836453, "molecule_chembl_id": "CHEMBL485549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifursol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1241", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836457", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.225650564,-0.00684643)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836457, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Polydatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830929", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830929, "molecule_chembl_id": "CHEMBL200027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.64", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836188", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOFOSBUVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836188, "molecule_chembl_id": "CHEMBL1259059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sofosbuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831308", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831308, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIBOFLAVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834583", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834583, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "RAPAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829889", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829889, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-EPIGALLOCATECHIN GALLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829700", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829700, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830335", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHADIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830335, "molecule_chembl_id": "CHEMBL1099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.11", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830732", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830732, "molecule_chembl_id": "CHEMBL164770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHCCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)C12CC1/C(=N\\O)c1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830338", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURAZOLIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830338, "molecule_chembl_id": "CHEMBL1103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FURAZOLIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835500", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILAZAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835500, "molecule_chembl_id": "CHEMBL515606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilazapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835350", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXAPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835350, "molecule_chembl_id": "CHEMBL831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.81", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loxapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829987", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPIDEM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829987, "molecule_chembl_id": "CHEMBL54349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.34", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALPIDEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834694", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.65 \u00b1 0.54", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.78", "bao_label": "organism-based format", "molecule_pref_name": "OCTENIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834694, "molecule_chembl_id": "CHEMBL36342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.84", "alogp": "9.63", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "OCTENIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1650.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830235", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPRENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830235, "molecule_chembl_id": "CHEMBL79686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.56", "alogp": "7.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TEPRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834943", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETARSONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834943, "molecule_chembl_id": "CHEMBL1330792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Acetarsol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830243", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830243, "molecule_chembl_id": "CHEMBL83899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.96", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-67506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836378", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCOPYRROLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836378, "molecule_chembl_id": "CHEMBL1201027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.34", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glycopyrrolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1715", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836114", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXSALEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836114, "molecule_chembl_id": "CHEMBL416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methoxsalen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2cc2ccc(=O)oc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835109", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFINPYRAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835109, "molecule_chembl_id": "CHEMBL832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sulfinpyrazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09933", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830406", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXIFLURIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830406, "molecule_chembl_id": "CHEMBL1130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOXIFLURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830160, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEPRIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835280", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINAFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835280, "molecule_chembl_id": "CHEMBL1908370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.39", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "finafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04952", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830593", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "O-CHLOROACETYLCARBAMOYLFUMAGILLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830593, "molecule_chembl_id": "CHEMBL424278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TNP-470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834933", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOHIPPURIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834933, "molecule_chembl_id": "CHEMBL463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aminohippuric acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834671", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.04 \u00b1 0.02", "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.40", "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834671, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835382", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835382, "molecule_chembl_id": "CHEMBL4303684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naftifine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cn(-c2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830957", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLYLPROPIONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830957, "molecule_chembl_id": "CHEMBL207225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-INDOLEPROPIONIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836109", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAPROTERENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836109, "molecule_chembl_id": "CHEMBL776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metaproterenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1316", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835508", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHINDRONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835508, "molecule_chembl_id": "CHEMBL1162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "norethindrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835649", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLORFENICOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835649, "molecule_chembl_id": "CHEMBL1241590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Florfenicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832566", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITICOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832566, "molecule_chembl_id": "CHEMBL1618340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.34", "alogp": "-1.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CITICOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833941", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPEROSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833941, "molecule_chembl_id": "CHEMBL251254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "-0.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828380", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRICARBATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828380, "molecule_chembl_id": "CHEMBL1620144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyricarbate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5155", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)OCc1cccc(COC(=O)NC)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828272", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRAMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828272, "molecule_chembl_id": "CHEMBL453514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "843.06", "alogp": "2.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Spiramycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832990", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINTRIAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832990, "molecule_chembl_id": "CHEMBL2107098", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINTRIAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(N)=O)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828981", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.78", "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828981, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1650.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832601", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832601, "molecule_chembl_id": "CHEMBL1650237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "101.13", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOTHIADIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nncs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833821", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833821, "molecule_chembl_id": "CHEMBL259067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID-7969543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833045", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833045, "molecule_chembl_id": "CHEMBL2139947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WNT-C59 (C59)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832571", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832571, "molecule_chembl_id": "CHEMBL1622371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.50", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINPA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832942, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OXYCLOZANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828343", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIOTHYRONINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828343, "molecule_chembl_id": "CHEMBL1544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Liothyronine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828348", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828348, "molecule_chembl_id": "CHEMBL1256660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.98", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Octoclothepin maleate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832973", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENFENAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832973, "molecule_chembl_id": "CHEMBL2106178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROMARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832409", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832409, "molecule_chembl_id": "CHEMBL1459534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.38", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-67"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832968", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALIBENDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832968, "molecule_chembl_id": "CHEMBL2105999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALIBENDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828267", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828267, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5188", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833103", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833103, "molecule_chembl_id": "CHEMBL2206278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AC-710"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833109", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFURESERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833109, "molecule_chembl_id": "CHEMBL2219422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFURESERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832384", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832384, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SOFALCONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832387", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACHLORPYRIDAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832387, "molecule_chembl_id": "CHEMBL1443577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.73", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFACHLORPYRIDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833805", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLORALUREA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833805, "molecule_chembl_id": "CHEMBL2106294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.83", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLORALUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828983", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.77", "bao_label": "organism-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828983, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Omeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17060.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828984", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.67", "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828984, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2120.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-53353", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829133, "molecule_chembl_id": "CHEMBL7939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-53353"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833704", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOETHARINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833704, "molecule_chembl_id": "CHEMBL1201153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOETHARINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828316", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPYRAMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828316, "molecule_chembl_id": "CHEMBL550011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.27", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloropyramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6466", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832950", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LULICONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832950, "molecule_chembl_id": "CHEMBL2105689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.29", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LULICONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832958", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832958, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BARICITINIB (LY3009104)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832959", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832959, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BREXPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833029", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPRODISATE DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833029, "molecule_chembl_id": "CHEMBL2107338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.19", "alogp": "-0.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EPRODISATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCCS(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833034", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEMIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833034, "molecule_chembl_id": "CHEMBL2111114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.65", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOFEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828340", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBUNOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828340, "molecule_chembl_id": "CHEMBL1201177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(-) Levobunolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833043", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERDEMETAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833043, "molecule_chembl_id": "CHEMBL2137530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.42", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ 26854165 (SERDEMETAN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829790", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829790, "molecule_chembl_id": "CHEMBL290487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.70", "alogp": "-0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOMESONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CS(=O)(=O)OCCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833016", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOCAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833016, "molecule_chembl_id": "CHEMBL2104499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.08", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEMOCAPRIL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828068", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORSEMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828068, "molecule_chembl_id": "CHEMBL1148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Torsemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01037", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832775", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832775, "molecule_chembl_id": "CHEMBL1956589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.18", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-1269574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832703", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-2461", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832703, "molecule_chembl_id": "CHEMBL1822792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.56", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829264", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829264, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SERTINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833429", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDAFITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833429, "molecule_chembl_id": "CHEMBL3545376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.56", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERDAFITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832108", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832108, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VEMURAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829385", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829385, "molecule_chembl_id": "CHEMBL16217", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-TERT-BUTYLPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832073", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUREGRELATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832073, "molecule_chembl_id": "CHEMBL36028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.24", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FUREGRELATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833421", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMPEDOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833421, "molecule_chembl_id": "CHEMBL3545313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETC-1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828714", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828714, "molecule_chembl_id": "CHEMBL4303646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ticarcillin sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830871", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXARAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830871, "molecule_chembl_id": "CHEMBL192966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.65", "alogp": "6.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FEXARAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832871", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STANOZOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832871, "molecule_chembl_id": "CHEMBL2079587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STANOZOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834079", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERIFOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834079, "molecule_chembl_id": "CHEMBL372764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.67", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "PERIFOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834083", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834083, "molecule_chembl_id": "CHEMBL4303580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "831.98", "alogp": "-1.84", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "EPTIFIBATIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCCC1NC(=O)CCSSCC(C(N)=O)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829400", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-202190", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829400, "molecule_chembl_id": "CHEMBL278041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-202190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827778", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFENPRODIL TARTRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827778, "molecule_chembl_id": "CHEMBL1256662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ifenprodil tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827780", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827780, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trifluoperazine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1697", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833943", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833943, "molecule_chembl_id": "CHEMBL1309552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.43", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5?-ANDROSTENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829414", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZACOPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829414, "molecule_chembl_id": "CHEMBL1516756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.27", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZACOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827430", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827430, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.19", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832146", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIBBERELLIN A3", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832146, "molecule_chembl_id": "CHEMBL1232952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.38", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-GIBBERELLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829429", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMMEPIP", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829429, "molecule_chembl_id": "CHEMBL18661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMMEPIP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc(CC2CCNCC2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835915", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHEMANIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835915, "molecule_chembl_id": "CHEMBL1201340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.42", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphemanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06957", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831046", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RSV-604", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831046, "molecule_chembl_id": "CHEMBL223402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.40", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RSV604"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831052", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831052, "molecule_chembl_id": "CHEMBL375126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.15", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APOPTOSIS-ACTIVATOR-II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835927", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DULOXETINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835927, "molecule_chembl_id": "CHEMBL1175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.42", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Duloxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001677", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835928", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835928, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "dutasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831183", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831183, "molecule_chembl_id": "CHEMBL398567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.48", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830052", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(-)-U-50488 CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830052, "molecule_chembl_id": "CHEMBL593781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.80", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-50488-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829759", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APC-100", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829759, "molecule_chembl_id": "CHEMBL37676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.31", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APC-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834918", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834918, "molecule_chembl_id": "CHEMBL576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.09", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butanedioic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835598", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMIFENAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835598, "molecule_chembl_id": "CHEMBL157337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ramifenazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01431", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830478", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830478, "molecule_chembl_id": "CHEMBL117405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PINDOLOL-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830369", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830369, "molecule_chembl_id": "CHEMBL97162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-239063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829620", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISAMOLTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829620, "molecule_chembl_id": "CHEMBL27077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISAMOLTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccccc1-n1cccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834326", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834326, "molecule_chembl_id": "CHEMBL4303148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.18", "alogp": "-4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SODIUM GLUCOHEPTONATE DIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835284", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMECINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835284, "molecule_chembl_id": "CHEMBL2107440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.29", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flumecinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1872", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(O)(c1ccccc1)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829580", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDORAMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829580, "molecule_chembl_id": "CHEMBL279516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.46", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDORAMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830679", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830679, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOFAZIMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835325", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPRAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835325, "molecule_chembl_id": "CHEMBL11", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.42", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imipramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830623", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830623, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "POLYDATIN(PICEID)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830626", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830626, "molecule_chembl_id": "CHEMBL143360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835339", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETOSTEINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835339, "molecule_chembl_id": "CHEMBL2105044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "letosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CSCCC1NC(C(=O)O)CS1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830636", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDORINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830636, "molecule_chembl_id": "CHEMBL144399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEDORINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccc2nc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835343", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMEPROMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835343, "molecule_chembl_id": "CHEMBL1764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.48", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levomepromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08389", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829569", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829569, "molecule_chembl_id": "CHEMBL284782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-37344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829571", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESORCINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829571, "molecule_chembl_id": "CHEMBL24147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835389", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACINAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835389, "molecule_chembl_id": "CHEMBL1140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.13", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830637", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUROFAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830637, "molecule_chembl_id": "CHEMBL144620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.14", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUROFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NP(N)(=O)NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834523", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834523, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834736", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": "<0.02", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834736, "molecule_chembl_id": "CHEMBL1976486", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "234.33", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC319726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=S)N1CCC1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834739", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.11 \u00b1 0.04", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CARBOXYAMIDOTRIAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834739, "molecule_chembl_id": "CHEMBL95431", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "424.68", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CARBOXYAMIDOTRIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "110.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834744", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "70.35 \u00b1 15.28", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834744, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70350.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834457", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834457, "molecule_chembl_id": "CHEMBL4303175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ECTOINE-ZWITTERION"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1NCC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827442", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827442, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834131", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROCTONE OLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834131, "molecule_chembl_id": "CHEMBL2107154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROCTONE OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833878", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENTAMAPIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833878, "molecule_chembl_id": "CHEMBL3545213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.56", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BENTAMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1)c1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829513", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUFENTANIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829513, "molecule_chembl_id": "CHEMBL658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUFENTANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834223", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834223, "molecule_chembl_id": "CHEMBL4303144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.24", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA14-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2[C@H]1[C@H](C#N)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833626", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833626, "molecule_chembl_id": "CHEMBL4303298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-THEANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829257", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLODRONATE DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829257, "molecule_chembl_id": "CHEMBL1520188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.86", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CLODRONATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828718", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828718, "molecule_chembl_id": "CHEMBL1354363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833424", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASP-3026", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833424, "molecule_chembl_id": "CHEMBL3545360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.76", "alogp": "3.77", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ASP3026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "62.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827182", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.14", "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827182, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7280.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830970", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRICITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830970, "molecule_chembl_id": "CHEMBL210651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APRICITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829216", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829216, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RALOXIFENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833564", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833564, "molecule_chembl_id": "CHEMBL4064277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.36", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRPIN340"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833573", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833573, "molecule_chembl_id": "CHEMBL4082420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PERHEXILINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(C[C@H]2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828871", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LITHOCHOLIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828871, "molecule_chembl_id": "CHEMBL1478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.58", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lithocholic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1888", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835723", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARVEDILOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835723, "molecule_chembl_id": "CHEMBL723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "carvedilol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828876", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828876, "molecule_chembl_id": "CHEMBL956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Suprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828877", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFLAZACORT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828877, "molecule_chembl_id": "CHEMBL1201891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.52", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deflazacort"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829539", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829539, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TRETAZICAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829544", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829544, "molecule_chembl_id": "CHEMBL25599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.21", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCMQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cc2ccccc2nc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829510", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMOXIPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829510, "molecule_chembl_id": "CHEMBL3989556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.75", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "REMOXIPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830078, "molecule_chembl_id": "CHEMBL63064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DAA-1106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835663", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IGURATIMOD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835663, "molecule_chembl_id": "CHEMBL2107455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "iguratimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1567", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833920", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833920, "molecule_chembl_id": "CHEMBL4303579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "SODIUM STIBOGLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829366", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829366, "molecule_chembl_id": "CHEMBL113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAFFEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829058", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829058, "molecule_chembl_id": "CHEMBL553725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.68", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-BFI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2oc(C3=NCCN3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833759", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXOPRENALINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833759, "molecule_chembl_id": "CHEMBL1589896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HEXOPRENALINE SULPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829063", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829063, "molecule_chembl_id": "CHEMBL1256179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.82", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPRENOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829070", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARZENIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829070, "molecule_chembl_id": "CHEMBL414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.20", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARZENIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832480", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832480, "molecule_chembl_id": "CHEMBL1530581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.36", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-OXYDIETHYLENEBENZOTHIAZOLE-2-SULFENAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SN3CCOCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834096", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834096, "molecule_chembl_id": "CHEMBL388751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.64", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORPHENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828943", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXIFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828943, "molecule_chembl_id": "CHEMBL32", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moxifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829483", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINALUKAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829483, "molecule_chembl_id": "CHEMBL283754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.56", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CINALUKAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833527", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833527, "molecule_chembl_id": "CHEMBL3907479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.39", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH5183284 (DEBIO-1347)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828777", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMOXIPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828777, "molecule_chembl_id": "CHEMBL1899328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.74", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Remoxipride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3465", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828852", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIGENIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828852, "molecule_chembl_id": "CHEMBL1153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Digoxigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2712", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832900", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMACAFTOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832900, "molecule_chembl_id": "CHEMBL2103870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.41", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VX-809 (LUMACAFTOR)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832904", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIVANTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832904, "molecule_chembl_id": "CHEMBL2103882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.42", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TIVANTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832440", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFENPIRAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832440, "molecule_chembl_id": "CHEMBL1489662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFENPIRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827828", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827828, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lidoflazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827838", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCHLORPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827838, "molecule_chembl_id": "CHEMBL1314751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.10", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prochlorperazine dimaleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835933", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDROPHONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835933, "molecule_chembl_id": "CHEMBL1104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.24", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Edrophonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831077", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESATORVID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831077, "molecule_chembl_id": "CHEMBL225157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.82", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RESATORVID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831085", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831085, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NG-NITRO-ARGININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830976", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830976, "molecule_chembl_id": "CHEMBL379156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-252424"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)o2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839049", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839049, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tomivosertib (eFT-508)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "231.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827710", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOXIFYLLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827710, "molecule_chembl_id": "CHEMBL628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170465384"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08341", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827805", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHAPYRILENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827805, "molecule_chembl_id": "CHEMBL1255739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.86", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methapyrilene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1cccs1)c1ccccn1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828111", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXEDRINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828111, "molecule_chembl_id": "CHEMBL33720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Synephrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9175", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827168", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.12", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827168, "molecule_chembl_id": "CHEMBL312225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.47", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-62-434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "750.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C(c2ccc(CN3CCCCC3)cc2)N2CCN=C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833872", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833872, "molecule_chembl_id": "CHEMBL4303571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.44", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829491", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPAFENONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829491, "molecule_chembl_id": "CHEMBL1201063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.91", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPAFENONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834330", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834330, "molecule_chembl_id": "CHEMBL4303416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOLUTEGRAVIR (GSK1349572)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834195", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834195, "molecule_chembl_id": "CHEMBL4303341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.93", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ZINC UNDECYLENATE [4MM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827793", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOXAZOLAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827793, "molecule_chembl_id": "CHEMBL472566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.58", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zoxazolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08734", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(Cl)ccc2o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827438", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827438, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829547", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUSENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829547, "molecule_chembl_id": "CHEMBL23261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DARUSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830663", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINCHOPHEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830663, "molecule_chembl_id": "CHEMBL348000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHOPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccccc2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828862", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828862, "molecule_chembl_id": "CHEMBL538843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.75", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Furaltadone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833577", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833577, "molecule_chembl_id": "CHEMBL4089840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UPF-1069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829432", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829432, "molecule_chembl_id": "CHEMBL1256287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.14", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOXONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERIDOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834133, "molecule_chembl_id": "CHEMBL1511957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.90", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPERIDOLATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832059", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMETASONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832059, "molecule_chembl_id": "CHEMBL1201404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOMETASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833391", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833391, "molecule_chembl_id": "CHEMBL3417395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.48", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAM7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828379", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828379, "molecule_chembl_id": "CHEMBL4303660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.61", "alogp": "-0.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hopantenate calcium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O.CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O.[Ca+2]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829407", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMEDASTINE DIFUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829407, "molecule_chembl_id": "CHEMBL2103739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EMEDASTINE DIFUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832129", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYROMAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832129, "molecule_chembl_id": "CHEMBL1231107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.19", "alogp": "-0.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID170466498"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(NC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834231", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834231, "molecule_chembl_id": "CHEMBL4303453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.60", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WIKI4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829092", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECHLORETHAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829092, "molecule_chembl_id": "CHEMBL427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.06", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECHLORETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCl)CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833737", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833737, "molecule_chembl_id": "CHEMBL4303451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.74", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "1-O-OCTADECYL-2-O-METHYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835351", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUFENURON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835351, "molecule_chembl_id": "CHEMBL1364906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.15", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "lufenuron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.138", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835363", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METACRESOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835363, "molecule_chembl_id": "CHEMBL298312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "108.14", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "metacresol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833757", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833757, "molecule_chembl_id": "CHEMBL3133036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU-SKI-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827396", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827396, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thiethylperazine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18370.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833766", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833766, "molecule_chembl_id": "CHEMBL4303468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.66", "alogp": "-0.74", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TIGECYCLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834021", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE TRIPHOSPHATE DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834021, "molecule_chembl_id": "CHEMBL2106579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.15", "alogp": "-1.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ADENOSINE TRIPHOSPHATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833930", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCIPRAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833930, "molecule_chembl_id": "CHEMBL101284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENCIPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833939", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833939, "molecule_chembl_id": "CHEMBL3182291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.39", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULBACTAM PIVOXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832124", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832124, "molecule_chembl_id": "CHEMBL1230609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "632.66", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "1; XL880"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830330", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRONIAZID PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830330, "molecule_chembl_id": "CHEMBL1256361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPRONIAZID PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834112", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834112, "molecule_chembl_id": "CHEMBL277535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BIFONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833742", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLORFENICOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833742, "molecule_chembl_id": "CHEMBL1241590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLORFENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827365", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.12", "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827365, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827912", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827912, "molecule_chembl_id": "CHEMBL4303352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.62", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Vigabatrin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(N)CCC(=O)O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833867", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENFLURANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833867, "molecule_chembl_id": "CHEMBL1257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.49", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENFLURANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)OC(F)(F)C(F)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833640", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833640, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONENSIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833660", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833660, "molecule_chembl_id": "CHEMBL77862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.69", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDRA-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Nc2ccc(Cl)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829278", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVADOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829278, "molecule_chembl_id": "CHEMBL13178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.47", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRAVADOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829338", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOTINIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829338, "molecule_chembl_id": "CHEMBL1079742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.90", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERLOTINIB(OSI-744)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827812", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYCANTHONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827812, "molecule_chembl_id": "CHEMBL22077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.49", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hycanthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827746", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFLUMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827746, "molecule_chembl_id": "CHEMBL63323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID170466463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832545", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSI-930", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832545, "molecule_chembl_id": "CHEMBL1614710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.45", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSI-930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827909", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAPROFENIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827909, "molecule_chembl_id": "CHEMBL365795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiaprofenic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYANO-PYRROLIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829160, "molecule_chembl_id": "CHEMBL262697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "96.13", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRROLIDINE-1-CARBONITRILE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828953", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DRONEDARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828953, "molecule_chembl_id": "CHEMBL1201729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.23", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828022", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828022, "molecule_chembl_id": "CHEMBL1367565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Octopamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832727", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832727, "molecule_chembl_id": "CHEMBL1876219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.29", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC2559 FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cncc(/C=C/CCNC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829052", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829052, "molecule_chembl_id": "CHEMBL1445061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-22394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1c2c(c3ccccc31)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827937", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENINDIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827937, "molecule_chembl_id": "CHEMBL711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenindione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05066", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833763", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDESONIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833763, "molecule_chembl_id": "CHEMBL1370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUDESONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833764", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARPOGRELATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833764, "molecule_chembl_id": "CHEMBL52939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SARPOGRELATE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833850", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833850, "molecule_chembl_id": "CHEMBL308534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TESTOSTERONE PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834038", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834038, "molecule_chembl_id": "CHEMBL1684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENDROFLUMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828030", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828030, "molecule_chembl_id": "CHEMBL2146123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.89", "alogp": "-0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Methacycline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1047", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832416", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORSULON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832416, "molecule_chembl_id": "CHEMBL1474129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLORSULON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832469", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832469, "molecule_chembl_id": "CHEMBL1523019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MADRASIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(Nc3nc(C)c(C)c(O)n3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832482", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELPERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832482, "molecule_chembl_id": "CHEMBL1531134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.36", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MELPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829404", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829404, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832488", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832488, "molecule_chembl_id": "CHEMBL1551597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.65", "alogp": "6.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-55-0396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835079", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835079, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "resveratrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1787", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835673", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSIMENDAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835673, "molecule_chembl_id": "CHEMBL2051955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.29", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Levosimendan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832049", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832049, "molecule_chembl_id": "CHEMBL1200949", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.61", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1cc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827347", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827347, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20020.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833875", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECLAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833875, "molecule_chembl_id": "CHEMBL2105593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.63", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SECLAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cc(Cl)ccc2OC2CCON12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829182", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COMBRETASTATIN A4", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829182, "molecule_chembl_id": "CHEMBL67", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CA-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834334", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834334, "molecule_chembl_id": "CHEMBL4303221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.55", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "STEMREGENIN 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832786", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEDROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832786, "molecule_chembl_id": "CHEMBL1974890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEDROL-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828381", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828381, "molecule_chembl_id": "CHEMBL4303424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.15", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenoxypropazine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2378", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)NN.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834174", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834174, "molecule_chembl_id": "CHEMBL1434137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD-1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)c(O)cc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833537, "molecule_chembl_id": "CHEMBL3940985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-H-106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833538", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833538, "molecule_chembl_id": "CHEMBL3941724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.13", "alogp": "3.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KRCA-0008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-24.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829526", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829526, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OSELTAMIVIR (ACID)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834374", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834374, "molecule_chembl_id": "CHEMBL4303607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.40", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H]1[C@@H](OC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829589", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829589, "molecule_chembl_id": "CHEMBL278751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.44", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UH-232-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829604", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMFENAC SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829604, "molecule_chembl_id": "CHEMBL435759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.25", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMFENAC SODIUM (MONOHYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835854", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOPERAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835854, "molecule_chembl_id": "CHEMBL507674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.68", "alogp": "-1.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefoperazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1928", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835858", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLONIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835858, "molecule_chembl_id": "CHEMBL134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.10", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Cl)c1N=C1NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835859", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835859, "molecule_chembl_id": "CHEMBL1361347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.85", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clopamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2705", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRAPARIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831876, "molecule_chembl_id": "CHEMBL1094636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIRAPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834237", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834237, "molecule_chembl_id": "CHEMBL4303172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "EUK 134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833542", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833542, "molecule_chembl_id": "CHEMBL3970532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG2833 (RGFP109)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833553", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVOSIDENIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833553, "molecule_chembl_id": "CHEMBL3989958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.97", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IVOSIDENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828851", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGATROBAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828851, "molecule_chembl_id": "CHEMBL1166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Argatroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833578", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833578, "molecule_chembl_id": "CHEMBL4090631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPIVACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830659", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830659, "molecule_chembl_id": "CHEMBL150315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.75", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-306416"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835667", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-CITRULLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835667, "molecule_chembl_id": "CHEMBL444814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.19", "alogp": "-1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Citrulline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1542", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831185", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831185, "molecule_chembl_id": "CHEMBL393912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.60", "alogp": "1.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "10-DAB (10-DEACETYLBACCATIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828581", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828581, "molecule_chembl_id": "CHEMBL543382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitrocaramiphen hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833284", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COPANLISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833284, "molecule_chembl_id": "CHEMBL3218576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.53", "alogp": "0.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "COPANLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833508", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833508, "molecule_chembl_id": "CHEMBL3787231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.52", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XD-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828242", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLIPRAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828242, "molecule_chembl_id": "CHEMBL63", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rolipram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3072", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836558", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.179990393,0.160902875)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGALASTAT", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836558, "molecule_chembl_id": "CHEMBL110458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1-deoxygalactonojirimycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1704", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831927", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831927, "molecule_chembl_id": "CHEMBL1715737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLATROPINE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828044", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828044, "molecule_chembl_id": "CHEMBL3143955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.26", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pramipexole dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833078, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831649", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENTIOPICROSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831649, "molecule_chembl_id": "CHEMBL508320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.33", "alogp": "-1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GENTIOPICRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828625", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAZOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828625, "molecule_chembl_id": "CHEMBL324665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carazolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831834", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPROPERAZINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831834, "molecule_chembl_id": "CHEMBL1481539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.86", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOPROPERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828631", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAZOCHROME", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828631, "molecule_chembl_id": "CHEMBL2051960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbazochrome"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(O)C2=C/C(=N/NC(N)=O)C(=O)C=C21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838792", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE MAY MAKE IT WORSE?", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838792, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "296.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836322", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISAVUCONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836322, "molecule_chembl_id": "CHEMBL409153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISAVUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828637", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828637, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dalfampridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830967", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830967, "molecule_chembl_id": "CHEMBL377219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.16", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-438079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836047", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836047, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclosan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828652", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANDOLAPRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828652, "molecule_chembl_id": "CHEMBL1519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trandolapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827979", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIACEREIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827979, "molecule_chembl_id": "CHEMBL41286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.30", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diacerein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827307", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PENFLURIDOL", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827307, "molecule_chembl_id": "CHEMBL47050", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "523.97", "alogp": "7.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "P3371, D02630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.75", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832815", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832815, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EVACETRAPIB (LY2484595)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838963", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838963, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pimozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.959", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833076", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833076, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S1RA (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833077", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833077, "molecule_chembl_id": "CHEMBL2170177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCI-34051"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838778", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838778, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.773", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833327", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833327, "molecule_chembl_id": "CHEMBL3289391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPENZOLATE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833330", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833330, "molecule_chembl_id": "CHEMBL3311302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH-7614"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838783", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE, MAY MAKE IT WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838783, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833892", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833892, "molecule_chembl_id": "CHEMBL190677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccc1)C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833415", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833415, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "POZIOTINIB (HM781-36B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829205", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROLOXIFENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829205, "molecule_chembl_id": "CHEMBL487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833905", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833905, "molecule_chembl_id": "CHEMBL4303373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.37", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYMATRINE (MATRINE N-OXIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@@H]3CCC[N+]4([O-])CCC[C@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829208", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829208, "molecule_chembl_id": "CHEMBL1708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.83", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAROXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831596", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831596, "molecule_chembl_id": "CHEMBL451835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.44", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EC-23"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833933", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833933, "molecule_chembl_id": "CHEMBL68363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836532", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836532, "molecule_chembl_id": "CHEMBL4303520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.25", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bromantan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836048", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUSAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836048, "molecule_chembl_id": "CHEMBL1332032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triflusal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830877", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOSCAPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830877, "molecule_chembl_id": "CHEMBL2106732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.89", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOSCAPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831121", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLATE MOFETIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831121, "molecule_chembl_id": "CHEMBL1456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLATE MOFETIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838756", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE/INCONCLUSIVE GOES DOWN TO 75% MAYBE PARTIAL ANTAGONIST", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838756, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "206.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832451", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832451, "molecule_chembl_id": "CHEMBL3183486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.90", "alogp": "6.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "XALIPRODEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832453", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832453, "molecule_chembl_id": "CHEMBL1513232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.56", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LINOLEOYL GABA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827846", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827846, "molecule_chembl_id": "CHEMBL1083993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "681.78", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Amiodarone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828522", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZATHIOPRINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828522, "molecule_chembl_id": "CHEMBL1542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azathioprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835960", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETILEFRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835960, "molecule_chembl_id": "CHEMBL86882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.24", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "etilefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC(O)c1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833787", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833787, "molecule_chembl_id": "CHEMBL61593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-32.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835963", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835963, "molecule_chembl_id": "CHEMBL358150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833111", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOMETHEPTENE MUCATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833111, "molecule_chembl_id": "CHEMBL2355839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.65", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOMETHEPTENE-MUCATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832798", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENSULIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832798, "molecule_chembl_id": "CHEMBL1987518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENYLBENZIMIDAZOLE-SULFONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833651", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833651, "molecule_chembl_id": "CHEMBL3039061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827226", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BAZEDOXIFENE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827226, "molecule_chembl_id": "CHEMBL46740", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "470.61", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bazedoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14970.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828489", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMETHIXENE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828489, "molecule_chembl_id": "CHEMBL1523827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pimethixene maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1714", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831557", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831557, "molecule_chembl_id": "CHEMBL444236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.54", "alogp": "4.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1,2,3,4,5,6-HEXABROMOCYCLOHEXANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "BrC1C(Br)C(Br)C(Br)C(Br)C1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836088", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836088, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lovastatin, Altoprev, MK-803"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08588", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827921", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZINAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827921, "molecule_chembl_id": "CHEMBL614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyz"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01701", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnccn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831231", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE VALERATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831231, "molecule_chembl_id": "CHEMBL1497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.59", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAMETHASONE VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827196", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.49", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827196, "molecule_chembl_id": "CHEMBL1410068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "5.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isoosajin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838857", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "U-SHAPED RESPONSE TEST AT LOWER CONC.", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838857, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "171.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832622", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PA-799", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832622, "molecule_chembl_id": "CHEMBL1684984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.43", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CH5132799"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833195", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833195, "molecule_chembl_id": "CHEMBL2431867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MN-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832668", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832668, "molecule_chembl_id": "CHEMBL2362410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.06", "alogp": "0.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LANDIOLOL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832627", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICERITROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832627, "molecule_chembl_id": "CHEMBL1697762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.53", "alogp": "2.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NICERITROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833134", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833134, "molecule_chembl_id": "CHEMBL2333365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL388"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)ccc(S(C)(=O)=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833136", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833136, "molecule_chembl_id": "CHEMBL2333945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.90", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832732", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832732, "molecule_chembl_id": "CHEMBL1886303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.35", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827975", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827975, "molecule_chembl_id": "CHEMBL1237110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dolasetron mesilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3461", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832632", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SYMCLOSENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832632, "molecule_chembl_id": "CHEMBL1698868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.41", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYMCLOSENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827295", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827295, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LDK378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836332", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836332, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Linagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0767", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827300", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827300, "molecule_chembl_id": "CHEMBL416956", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "378.32", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833520", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833520, "molecule_chembl_id": "CHEMBL3883592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.82", "alogp": "3.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MM-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828410", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828410, "molecule_chembl_id": "CHEMBL4303447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "916.11", "alogp": "1.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tylosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02341", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828296", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALEXIDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828296, "molecule_chembl_id": "CHEMBL554041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.73", "alogp": "4.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Alexidine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1366", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836158", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYLPENICILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836158, "molecule_chembl_id": "CHEMBL29", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.164", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828300", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFIBRIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828300, "molecule_chembl_id": "CHEMBL683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.65", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clofibric acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1599", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833009", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833009, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PIMASERTIB (AS-703026)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829117", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-745870", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829117, "molecule_chembl_id": "CHEMBL267014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-745870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833011", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833011, "molecule_chembl_id": "CHEMBL2110370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-159897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833175", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833175, "molecule_chembl_id": "CHEMBL2397093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.95", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CIQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833179", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOTEGRAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833179, "molecule_chembl_id": "CHEMBL2403238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CABOTEGRAVIR (GSK744, GSK1265744)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMBOGIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831728, "molecule_chembl_id": "CHEMBL555017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.76", "alogp": "7.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GAMBOGIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832687", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832687, "molecule_chembl_id": "CHEMBL1778663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.47", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-A-2317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(C)c(C#N)c(N[C@@H](C)CCCC(C)(C)O)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828157", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESLORATADINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828157, "molecule_chembl_id": "CHEMBL1172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.83", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desloratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2461", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832027", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832027, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827938", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORSULON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827938, "molecule_chembl_id": "CHEMBL1474129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clorsulon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1539", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832673", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARDOXOLONE METHYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832673, "molecule_chembl_id": "CHEMBL1762621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.70", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "BARDOXOLONE METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831227", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSUVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831227, "molecule_chembl_id": "CHEMBL1744447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1001.15", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSUVASTATIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833197", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833197, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827919", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827919, "molecule_chembl_id": "CHEMBL1201082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.79", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluoxetine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04141", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833268", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVOCERANIB MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833268, "molecule_chembl_id": "CHEMBL3545414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APATINIB MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836546", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-406", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836546, "molecule_chembl_id": "CHEMBL475251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.46", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R406"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831912", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODIPAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831912, "molecule_chembl_id": "CHEMBL1165268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1139.76", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Iodipamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833585", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTENZEPAD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833585, "molecule_chembl_id": "CHEMBL17045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OTENZEPAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831200", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831200, "molecule_chembl_id": "CHEMBL399021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.59", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP-ADW742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](CN2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831201", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-345541", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831201, "molecule_chembl_id": "CHEMBL249697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-345541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831304", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAKUCHIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831304, "molecule_chembl_id": "CHEMBL262344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.39", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838748", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838748, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836101", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLUMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836101, "molecule_chembl_id": "CHEMBL1200570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "-3.36", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Meglumine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831898", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831898, "molecule_chembl_id": "CHEMBL1085588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.48", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEPP-46"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c2cc([S+](C)[O-])sc2c2cnn(Cc3cccc(N)c3)c(=O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827218", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.52", "bao_label": "organism-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827218, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833517", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833517, "molecule_chembl_id": "CHEMBL3822934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.81", "alogp": "6.61", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VERTEPORFIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836064", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANOCONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836064, "molecule_chembl_id": "CHEMBL1555126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.84", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lanoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831015", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831015, "molecule_chembl_id": "CHEMBL216543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDIRUBIN-3-MONOXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831091", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRETOMANID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831091, "molecule_chembl_id": "CHEMBL227875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.26", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PA-824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPIRACIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831160, "molecule_chembl_id": "CHEMBL65375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.13", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIPIRACIL (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831766", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831766, "molecule_chembl_id": "CHEMBL571700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.38", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAMETHYLTHIURAM MONOSULFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836557", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (-0.045682567,-0.124695021)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836557, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAL-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827223", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ABEMACICLIB", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827223, "molecule_chembl_id": "CHEMBL3301610", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "506.61", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abemaciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828480", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMENHYDRINATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828480, "molecule_chembl_id": "CHEMBL1200406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.97", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Dimenhydrinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828487", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHENODIOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828487, "molecule_chembl_id": "CHEMBL240597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chenodiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2725", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829313", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOTRIMAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829313, "molecule_chembl_id": "CHEMBL104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOTRIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828529", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTICOSTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828529, "molecule_chembl_id": "CHEMBL110739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Corticosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2124", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828534", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828534, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Progesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828535", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEROTONIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828535, "molecule_chembl_id": "CHEMBL535832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.68", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Serotonin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02965", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828537", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFACLOR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828537, "molecule_chembl_id": "CHEMBL1201018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.83", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefaclor hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834033", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFENOQUINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834033, "molecule_chembl_id": "CHEMBL298470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.50", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TAFENOQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828886", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODIXANOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828886, "molecule_chembl_id": "CHEMBL1200507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1550.19", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Iodixanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831926", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831926, "molecule_chembl_id": "CHEMBL38763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.14", "alogp": "8.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-140333"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838790", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE MAY MAKE IT WORSE?", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838790, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.093", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833129", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-743921", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833129, "molecule_chembl_id": "CHEMBL2325429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "SB-743921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828894", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAMPICILLIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828894, "molecule_chembl_id": "CHEMBL1411731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.99", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Talampicillin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5053", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833694", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYTETRACYCLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833694, "molecule_chembl_id": "CHEMBL1517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.44", "alogp": "-1.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXYTETRACYCLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828495", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORTHALIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828495, "molecule_chembl_id": "CHEMBL1055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.77", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorthalidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834002", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STIRIPENTOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834002, "molecule_chembl_id": "CHEMBL1983350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.29", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STIRIPENTOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828497", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXICILLIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828497, "molecule_chembl_id": "CHEMBL1082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.41", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amoxicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1371", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827238", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DRONEDARONE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827238, "molecule_chembl_id": "CHEMBL184412", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "556.77", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8750.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829310", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTANOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829310, "molecule_chembl_id": "CHEMBL14227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "88.11", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM BUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832946", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACALCITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832946, "molecule_chembl_id": "CHEMBL2105611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TACALCITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833410", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833410, "molecule_chembl_id": "CHEMBL3911801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "617.63", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2584702 TOSYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833273", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1292263", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833273, "molecule_chembl_id": "CHEMBL3187503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK1292263"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828742", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLARITHROMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828742, "molecule_chembl_id": "CHEMBL1741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "747.96", "alogp": "2.44", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Clarithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8598", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833291", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-37822681", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833291, "molecule_chembl_id": "CHEMBL3234237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.34", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-37822681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828727", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828727, "molecule_chembl_id": "CHEMBL3989823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "783.78", "alogp": "-8.88", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Viomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833591", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833591, "molecule_chembl_id": "CHEMBL4303326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1541.55", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "HYDROXYPROPYL-BETA-CYCLODEXTRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)COC[C@H]1OC2O[C@@H]3[C@@H](COCC(C)O)OC(O[C@@H]4[C@@H](COCC(C)O)OC(O[C@@H]5[C@@H](COCC(C)O)OC(O[C@@H]6[C@@H](COCC(C)O)OC(O[C@@H]7[C@@H](COCC(C)O)OC(O[C@@H]8[C@@H](COCC(C)O)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829322", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829322, "molecule_chembl_id": "CHEMBL14276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.39", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-228357"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829328", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829328, "molecule_chembl_id": "CHEMBL279841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.44", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MM77"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829393", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRONETALOLHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829393, "molecule_chembl_id": "CHEMBL1876082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.78", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRONETALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc2ccccc2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832639", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832639, "molecule_chembl_id": "CHEMBL1711959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.31", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-54494A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832029", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPODATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832029, "molecule_chembl_id": "CHEMBL1201033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "619.94", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IOPODIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832030", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832030, "molecule_chembl_id": "CHEMBL1200648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.69", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROCURONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831489", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831489, "molecule_chembl_id": "CHEMBL515271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.30", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838982", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838982, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "285.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836428", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836428, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rivaroxaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01318", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836032", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLMETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836032, "molecule_chembl_id": "CHEMBL1020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.29", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolmetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833342", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833342, "molecule_chembl_id": "CHEMBL3335796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.28", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NHI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832003", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROMETHOLONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832003, "molecule_chembl_id": "CHEMBL1201064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.51", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOROMETHOLONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833360", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833360, "molecule_chembl_id": "CHEMBL3352956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-PYRIMIDINECARBONITRILE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833361", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833361, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OSIMERTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828659", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828659, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorquinaldol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7109", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828661", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828661, "molecule_chembl_id": "CHEMBL1790006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.83", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Tolonium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828468", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828468, "molecule_chembl_id": "CHEMBL4303196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.63", "alogp": "3.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Antimycin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.026", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC[C@H]1C(=O)O[C@H](C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833259", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833259, "molecule_chembl_id": "CHEMBL3185084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCRALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833320", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPEBRUTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833320, "molecule_chembl_id": "CHEMBL3301625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-292 (AVL-292)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828325", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZTHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828325, "molecule_chembl_id": "CHEMBL1201039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.95", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzthiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832960", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMARIGLIPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832960, "molecule_chembl_id": "CHEMBL2105762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "1.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OMARIGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829224", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829224, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833514", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMCENTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833514, "molecule_chembl_id": "CHEMBL3809489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.66", "alogp": "4.88", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BEMCENTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838880", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838880, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "476.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831930", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831930, "molecule_chembl_id": "CHEMBL1255750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.31", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QX-314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836074", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVETIRACETAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836074, "molecule_chembl_id": "CHEMBL1286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levetiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04659", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827901", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827901, "molecule_chembl_id": "CHEMBL1563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.99", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834006", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALMEFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834006, "molecule_chembl_id": "CHEMBL1201152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.90", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALMEFENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828518", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRONE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828518, "molecule_chembl_id": "CHEMBL487894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.35", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dipyrone sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828568", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODIPAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828568, "molecule_chembl_id": "CHEMBL1165268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1139.76", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Iodipamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5066", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828942", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828942, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gatifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829218", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829218, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TAMOXIFEN CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833917", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBENOSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833917, "molecule_chembl_id": "CHEMBL3301681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIBENOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-34.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828955", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIMAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828955, "molecule_chembl_id": "CHEMBL1515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.17", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc[nH]c1=S", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833258", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833258, "molecule_chembl_id": "CHEMBL3184878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIAZOVIVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828258", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828258, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Exalamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827857", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827857, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Linagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1346", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828353", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAMINOPHEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828353, "molecule_chembl_id": "CHEMBL112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Paracetamol; acetaminophen; 4-hydroxyacetanilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829225", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROMOLYN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829225, "molecule_chembl_id": "CHEMBL74", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.33", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CROMOLYN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836468", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.180958385,0.09127418)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836468, "molecule_chembl_id": "CHEMBL429298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.83", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1361", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832684", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832684, "molecule_chembl_id": "CHEMBL1774154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1121.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SM-164"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827309", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PHENAZOPYRIDINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827309, "molecule_chembl_id": "CHEMBL1242", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenazopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.79", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827933", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACETIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827933, "molecule_chembl_id": "CHEMBL16073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenacetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828041", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828041, "molecule_chembl_id": "CHEMBL4303185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.20", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dimaprit dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.382", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSC(=N)N.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832969", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYACETACIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832969, "molecule_chembl_id": "CHEMBL2106008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "99.09", "alogp": "-1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYACETACIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC(=O)NN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828081", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828081, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Repaglinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828312", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828312, "molecule_chembl_id": "CHEMBL1335656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methazolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N=c1sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832983", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPICOMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832983, "molecule_chembl_id": "CHEMBL2106646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUPICOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(C(N)=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833105", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833105, "molecule_chembl_id": "CHEMBL2216827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.51", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNX-774"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832992", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832992, "molecule_chembl_id": "CHEMBL2107381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.31", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2',3',5'-TRI-O-ACETYLURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831035", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFACITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831035, "molecule_chembl_id": "CHEMBL221959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.38", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOFACITINIB (CP-690550, TASOCITINIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828299", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBETASOL PROPIONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828299, "molecule_chembl_id": "CHEMBL1159650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.98", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clobetasol propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2335", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829108", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829108, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833818", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833818, "molecule_chembl_id": "CHEMBL3922179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-5442"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828462", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPTOTHECIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828462, "molecule_chembl_id": "CHEMBL65", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Camptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832657", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DENATONIUM BENZOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832657, "molecule_chembl_id": "CHEMBL1371493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.59", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DENATONIUM BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833825", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833825, "molecule_chembl_id": "CHEMBL3604460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FLI-06"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829129", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829129, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMSACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828443", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828443, "molecule_chembl_id": "CHEMBL1355736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.18", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Theophylline monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2[nH]cnc2n(C)c1=O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828496", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828496, "molecule_chembl_id": "CHEMBL1605650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.85", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clopamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828704", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828704, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TMC125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833221", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833221, "molecule_chembl_id": "CHEMBL3092807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.59", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834012", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834012, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRALATREXATE(FOLOTYN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828527", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBENZEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828527, "molecule_chembl_id": "CHEMBL2104287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.85", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dibenzepine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.599", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834017", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834017, "molecule_chembl_id": "CHEMBL4303225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.42", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIM-0216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C(c2ccccc2)N2CCCc3ccccc32)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829321", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOPERIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829321, "molecule_chembl_id": "CHEMBL14376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ILOPERIDONE (FANAPT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833235", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-232", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833235, "molecule_chembl_id": "CHEMBL3125702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.56", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "AMG 232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828705", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828705, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Empagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836542", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLPYRALINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836542, "molecule_chembl_id": "CHEMBL1492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.40", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphenylpyraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2582", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831759", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831759, "molecule_chembl_id": "CHEMBL566099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.35", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-2210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832032", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOBENZAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832032, "molecule_chembl_id": "CHEMBL1200887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.93", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHOBENZAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831689", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NINTEDANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831689, "molecule_chembl_id": "CHEMBL502835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.64", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "NINTEDANIB (BIBF 1120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836238", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIROCOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836238, "molecule_chembl_id": "CHEMBL69998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.41", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "firocoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09893", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831564", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-208", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831564, "molecule_chembl_id": "CHEMBL496102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.41", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMG-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836451", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOGESTREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836451, "molecule_chembl_id": "CHEMBL1533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.48", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desogestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03558", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835900", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAZOXIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835900, "molecule_chembl_id": "CHEMBL181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.68", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170465328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1379", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NS(=O)(=O)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831032", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831032, "molecule_chembl_id": "CHEMBL426560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.67", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-2216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831620", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831620, "molecule_chembl_id": "CHEMBL457665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "-1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-SULFO-L-CYSTEINE-SODIUM-SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSS(=O)(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831656", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE BUTYRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831656, "molecule_chembl_id": "CHEMBL1683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.56", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE BUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-42.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827215", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINACRINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827215, "molecule_chembl_id": "CHEMBL7568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.97", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Quinacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836523", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAZOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836523, "molecule_chembl_id": "CHEMBL324665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carazolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4815", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836467", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836467, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zolmitriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831679", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNS-314", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831679, "molecule_chembl_id": "CHEMBL482767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SNS-314 METHANESULFONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838668", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE ", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838668, "molecule_chembl_id": "CHEMBL254578", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.32", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827367", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.05", "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827367, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8980.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833712", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALDARIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833712, "molecule_chembl_id": "CHEMBL1474352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZALDARIDE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEZACAFTOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833402, "molecule_chembl_id": "CHEMBL3544914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.50", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VX-661"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833404", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-901", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833404, "molecule_chembl_id": "CHEMBL3544932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.66", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829023", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829023, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833725", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHLORMETHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833725, "molecule_chembl_id": "CHEMBL1054", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLORMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-24.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829188", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829188, "molecule_chembl_id": "CHEMBL598270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.18", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOFILIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829157", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GYKI-52466", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829157, "molecule_chembl_id": "CHEMBL275006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GYKI-52466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828697", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASUGREL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828697, "molecule_chembl_id": "CHEMBL1201772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.45", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prasugrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835930", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECABET", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835930, "molecule_chembl_id": "CHEMBL2104585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.51", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ecabet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1341", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833414", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOCICLIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833414, "molecule_chembl_id": "CHEMBL3545110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIBOCICLIB (LEE011)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831157", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERILLYL ALCOHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831157, "molecule_chembl_id": "CHEMBL236687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PERILLYL-ALCOHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC=C(CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834302", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834302, "molecule_chembl_id": "CHEMBL4303271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IVABRADINE HCL (PROCORALAN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@@H]1Cc3cc(OC)c(OC)cc31)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835083", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835083, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rilpivirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1167", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835208", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINOFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835208, "molecule_chembl_id": "CHEMBL1897738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clinofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828722", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRIOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828722, "molecule_chembl_id": "CHEMBL193482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Estriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834586", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834586, "molecule_chembl_id": "CHEMBL4303520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.25", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROMANTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835000", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835000, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlormidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827926", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827926, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiabendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832734", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROSPIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832734, "molecule_chembl_id": "CHEMBL3084748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.97", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TROSPIUM CHLORIDE (SANCTURA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831884", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLINABULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831884, "molecule_chembl_id": "CHEMBL1096380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.40", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PLINABULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1[nH]cnc1/C=c1\\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831885", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831885, "molecule_chembl_id": "CHEMBL1098726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.38", "alogp": "4.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-688521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827764", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIPERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827764, "molecule_chembl_id": "CHEMBL267930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.48", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Spiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827944", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLSIDOMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827944, "molecule_chembl_id": "CHEMBL1256353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.24", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Molsidomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)/N=c1/c[n+](N2CCOCC2)[n-]o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832485", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832485, "molecule_chembl_id": "CHEMBL1543306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.62", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SF-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832764", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832764, "molecule_chembl_id": "CHEMBL1938952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.37", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S1P1 AGONIST III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832770", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIMASARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832770, "molecule_chembl_id": "CHEMBL1951143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.66", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "FIMASARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829420", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIS(ETHYL)SPERMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829420, "molecule_chembl_id": "CHEMBL18794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.45", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,12-BESM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCCCNCCCCNCCCNCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833967", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNAP (S-NITROSO-N-ACETYLPENICILLAMINE)", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833967, "molecule_chembl_id": "CHEMBL27308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.25", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNAP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(C(=O)O)C(C)(C)SN=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828766", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828766, "molecule_chembl_id": "CHEMBL1201109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.51", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827785", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827785, "molecule_chembl_id": "CHEMBL598270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.18", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOFILIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832766", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832766, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834121", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELIPROLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834121, "molecule_chembl_id": "CHEMBL27810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CELIPROLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839006", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839006, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RP101 (Brivudine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "254.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834134", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYANOCOBALAMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834134, "molecule_chembl_id": "CHEMBL2110563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1356.40", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CYANOCOBALAMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829041", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARAPLADIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829041, "molecule_chembl_id": "CHEMBL204021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "666.79", "alogp": "7.22", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "DARAPLADIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828036", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828036, "molecule_chembl_id": "CHEMBL1593765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.42", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naftopidil dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829053", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-182874", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829053, "molecule_chembl_id": "CHEMBL267458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-182874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828043", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPECITABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828043, "molecule_chembl_id": "CHEMBL1773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Capecitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829450", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BATIMASTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829450, "molecule_chembl_id": "CHEMBL279786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.65", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BATIMASTAT (BB-94)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832116", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832116, "molecule_chembl_id": "CHEMBL1230080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.12", "alogp": "-2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839063", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839063, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "105.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827419", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827419, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835950", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDAFITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835950, "molecule_chembl_id": "CHEMBL3545376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.56", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERDAFITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03006", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833118", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833118, "molecule_chembl_id": "CHEMBL2312168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LMK-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832603", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832603, "molecule_chembl_id": "CHEMBL1650511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.41", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-I-2014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-c1cc(C(F)(F)F)c2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832689", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832689, "molecule_chembl_id": "CHEMBL1779732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.28", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CYM-50358"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CN)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832522", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRANAFTATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832522, "molecule_chembl_id": "CHEMBL1591365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.44", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIRANAFTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832615", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832615, "molecule_chembl_id": "CHEMBL1671898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.92", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CJ-033466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(C)C)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831070", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831070, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RALTITREXED (TOMUDEX)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828171", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828171, "molecule_chembl_id": "CHEMBL1510899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "807.89", "alogp": "3.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Docetaxel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1241", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832882", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832882, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIRABEGRON (YM178)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832887", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALACEPRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832887, "molecule_chembl_id": "CHEMBL2103775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.50", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALACEPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828188", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828188, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlexanox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5628", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832898", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAVISANT DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832898, "molecule_chembl_id": "CHEMBL2105715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.38", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BAVISANT (DIHYDROCHLORIDE HYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O.O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832457", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832457, "molecule_chembl_id": "CHEMBL1514276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.69", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-45041-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc2c1CN(C1=NCCN1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828712", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828712, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Risperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7083", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836045", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIACETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836045, "molecule_chembl_id": "CHEMBL1489254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.21", "alogp": "0.04", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Triacetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(COC(C)=O)OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829055", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829055, "molecule_chembl_id": "CHEMBL544428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIANSERIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834075", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834075, "molecule_chembl_id": "CHEMBL4303381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRELAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2cc(F)ccc2C#N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832470", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832470, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHTHALYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827416", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827416, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833773", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833773, "molecule_chembl_id": "CHEMBL4303257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.46", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-{[2-(HYDROXYMETHYL)-2-PHENYLBUTANOYL]OXY}-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CO)(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832489", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACADESINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832489, "molecule_chembl_id": "CHEMBL1551724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "-2.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AICAR (ACADESINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829396", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOVALONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829396, "molecule_chembl_id": "CHEMBL17205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOVALONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCC/C(=C\\c3ccc(O)c(OC)c3)C2=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830099", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830099, "molecule_chembl_id": "CHEMBL304008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.26", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-93129"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2[nH]cc(C3=CCNCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830100", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UREA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830100, "molecule_chembl_id": "CHEMBL985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "60.06", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "UREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829753", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829753, "molecule_chembl_id": "CHEMBL37161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828070", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOMEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828070, "molecule_chembl_id": "CHEMBL1476022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nomegestrol acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828061", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828061, "molecule_chembl_id": "CHEMBL3187408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.70", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etilefrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8135", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC(O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834119", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834119, "molecule_chembl_id": "CHEMBL2104122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CICLOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828066", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828066, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827435", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827435, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170464696"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.43", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832139", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMSYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832139, "molecule_chembl_id": "CHEMBL1514715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.31", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMSYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC.O=S(=O)(O)c1cc(O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833559, "molecule_chembl_id": "CHEMBL3991932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.64", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PEXMETINIB (ARRY-614)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828857", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISINDIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828857, "molecule_chembl_id": "CHEMBL712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Anisindione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2C(=O)c3ccccc3C2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835722", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARTEOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835722, "molecule_chembl_id": "CHEMBL839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carteolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832100", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832100, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ARBIDOL (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828916", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828916, "molecule_chembl_id": "CHEMBL4303526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.87", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tripamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)NN2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)ccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828825", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOMIFENSINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828825, "molecule_chembl_id": "CHEMBL1256842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.41", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nomifensine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833802", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833802, "molecule_chembl_id": "CHEMBL526744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "3353.11", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "NISIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CS[C@@H](C)[C@H]2NC(=O)C(=C)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@H](CCCNN)NC(=O)[C@@H]4CS[C@@H](C)[C@@H](NC(=O)[C@@H]5CSC[C@@H](NC(=O)/C(=C\\C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N3)[C@H](C)SC[C@H](NC2=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833050", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833050, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "IXAZOMIB (MLN2238)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833778", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833778, "molecule_chembl_id": "CHEMBL4303444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1155.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "COLISTIN . SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829250", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829250, "molecule_chembl_id": "CHEMBL11919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPHA-METHYLHISTAMINE-DIHYDROBROMIDE-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832693", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832693, "molecule_chembl_id": "CHEMBL3391735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.54", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEPHENIUM HYDROXYNAPTHOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1ccc2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827459", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827459, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827515", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENCICLOVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827515, "molecule_chembl_id": "CHEMBL1540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Penciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1825", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827519", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNISOLIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827519, "molecule_chembl_id": "CHEMBL1512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flunisolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0848", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827560", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOCAINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827560, "molecule_chembl_id": "CHEMBL278172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzocaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827906", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827906, "molecule_chembl_id": "CHEMBL869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.14", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitrofural"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9359", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828034", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828034, "molecule_chembl_id": "CHEMBL1713992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.43", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirlindole mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5995", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc2c(c1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832739", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORPRENALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832739, "molecule_chembl_id": "CHEMBL2106149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.17", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLORPRENALINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828613", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETRIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828613, "molecule_chembl_id": "CHEMBL38938", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.13", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dimetridazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828119", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828119, "molecule_chembl_id": "CHEMBL4303711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.89", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clonixin lysinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ncccc1C(=O)O.NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828787", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828787, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEPRIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836133", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOEXIPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836133, "molecule_chembl_id": "CHEMBL1165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.58", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moexipril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831264", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESZOPICLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831264, "molecule_chembl_id": "CHEMBL1522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESZOPICLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836136", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORNIFLUMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836136, "molecule_chembl_id": "CHEMBL2105059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "morniflumate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09756", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831265", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831265, "molecule_chembl_id": "CHEMBL402262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.77", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORTHALIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830292", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830292, "molecule_chembl_id": "CHEMBL88147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.83", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS-1220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835198", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFADROXIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835198, "molecule_chembl_id": "CHEMBL1644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cefadroxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835224", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABRAFENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835224, "molecule_chembl_id": "CHEMBL2028663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dabrafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.274", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829029", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829029, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Opipramol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829443", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829443, "molecule_chembl_id": "CHEMBL19299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LOXOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827534", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827534, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zonisamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006148", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827573", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLECAINIDE ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827573, "molecule_chembl_id": "CHEMBL1200822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flecainide acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.049", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827672", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORTETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827672, "molecule_chembl_id": "CHEMBL2146063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.35", "alogp": "0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Chlortetracycline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834660", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834660, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "HEMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830106", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830106, "molecule_chembl_id": "CHEMBL63154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.62", "alogp": "7.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FGIN-1-27"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834527", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834527, "molecule_chembl_id": "CHEMBL4303440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.43", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(4-FLUOROPHENYL)-4-(3,4,5-TRIMETHOXYBENZYL)PIPERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834838", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834838, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830481", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUCALOPRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830481, "molecule_chembl_id": "CHEMBL117287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRUCALOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834840", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AVASIMIBE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834840, "molecule_chembl_id": "CHEMBL101309", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "501.73", "alogp": "7.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVASIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154557", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154557, "molecule_chembl_id": "CHEMBL1671971", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "420.37", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E3 ligase Ligand 5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153584", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOVALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153584, "molecule_chembl_id": "CHEMBL17205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclovalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCC/C(=C\\c3ccc(O)c(OC)c3)C2=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150094", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABACAVIR SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150094, "molecule_chembl_id": "CHEMBL1200619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.42", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABACAVIR SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153694", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEANDRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153694, "molecule_chembl_id": "CHEMBL4285883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.73", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Oleandrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154292", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.87", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154292, "molecule_chembl_id": "CHEMBL29197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.21", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13370.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150063", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150063, "molecule_chembl_id": "CHEMBL1385206", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.88", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836053", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENFENAMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836053, "molecule_chembl_id": "CHEMBL2106178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tromaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830425", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830425, "molecule_chembl_id": "CHEMBL2448118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.96", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DONEPEZIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835134", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRABENAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835134, "molecule_chembl_id": "CHEMBL117785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tetrabenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836117", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE ACEPONATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836117, "molecule_chembl_id": "CHEMBL1697782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.58", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylprednisolone-aceponate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836118", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIXENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836118, "molecule_chembl_id": "CHEMBL1201342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.48", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "metixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08132", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831255", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-MIDODRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831255, "molecule_chembl_id": "CHEMBL255026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIDODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-36.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835158", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAZODONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835158, "molecule_chembl_id": "CHEMBL621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trazodone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835162", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835162, "molecule_chembl_id": "CHEMBL4303336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.95", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "tropesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(C(=O)O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830461", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830461, "molecule_chembl_id": "CHEMBL1788131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-PPBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "63.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.c1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830466", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830466, "molecule_chembl_id": "CHEMBL116159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828028", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DENATONIUM BENZOATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828028, "molecule_chembl_id": "CHEMBL1371493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.59", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Denatonium benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.341", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828785", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828785, "molecule_chembl_id": "CHEMBL4303543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.67", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ancitabine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1329", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838930", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "HERG", "pchembl_value": "6.00", "bao_label": "cell membrane format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303779", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL240", "activity_id": 18838930, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": "Cell membranes", "cell_chembl_id": "CHEMBL3307715", "assay_cell_type": "HEK293", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells", "bao_format": "BAO_0000249"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832288", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832288, "molecule_chembl_id": "CHEMBL1711621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QX-222"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827585", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827585, "molecule_chembl_id": "CHEMBL1763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.30", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroflumethiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827174", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.92", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827174, "molecule_chembl_id": "CHEMBL4303522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.17", "alogp": "6.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KW 8232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1200.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1c(C(=O)N2CCN(c3ccccc3Cl)CC2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838828", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838828, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.024", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836115", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLERGONOVINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836115, "molecule_chembl_id": "CHEMBL1201356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methylergonovine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832367", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPOBENIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832367, "molecule_chembl_id": "CHEMBL1418182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.36", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPOBENIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833728, "molecule_chembl_id": "CHEMBL4303609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "URIDINE-5'-TRIPHOSPHATE.3NA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149162", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149162, "molecule_chembl_id": "CHEMBL1590144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tiracizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150011", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150011, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALLOPREGNANOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149816", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149816, "molecule_chembl_id": "CHEMBL266240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.73", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD053534"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835761", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALOXIFENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835761, "molecule_chembl_id": "CHEMBL81", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.59", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Raloxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835838", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATAZANAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835838, "molecule_chembl_id": "CHEMBL1163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "704.87", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Atazanavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1414", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835798", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILIBININ", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835798, "molecule_chembl_id": "CHEMBL1401508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "silibinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835841", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835841, "molecule_chembl_id": "CHEMBL2028661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.54", "alogp": "4.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azilsartan medoxomil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1452", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150350", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150350, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153672", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153672, "molecule_chembl_id": "CHEMBL2103842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.95", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Varlitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153575", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT 737", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153575, "molecule_chembl_id": "CHEMBL376408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.45", "alogp": "7.88", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ABT-737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149263", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149263, "molecule_chembl_id": "CHEMBL132778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.50", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150025", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150025, "molecule_chembl_id": "CHEMBL4303225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.42", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIM-0216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C(c2ccccc2)N2CCCc3ccccc32)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834769", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "12.75 \u00b1 0.84", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RAVUCONAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834769, "molecule_chembl_id": "CHEMBL294029", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RAVUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12750.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830071", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830071, "molecule_chembl_id": "CHEMBL2397386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.93", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NGB-2904"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830072", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIRAMESINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830072, "molecule_chembl_id": "CHEMBL61479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.59", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SIRAMESINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835215", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORANOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835215, "molecule_chembl_id": "CHEMBL156791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cloranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829566", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829566, "molecule_chembl_id": "CHEMBL699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-(b-HYDROXYETHYL)THEOPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCO)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834336", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834336, "molecule_chembl_id": "CHEMBL4303201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.45", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANLOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834200", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834200, "molecule_chembl_id": "CHEMBL4303215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.43", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AA-29504"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830528", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830528, "molecule_chembl_id": "CHEMBL125236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANDARINE (GTX-007)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835438", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835438, "molecule_chembl_id": "CHEMBL376359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.40", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alogliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1721", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834369", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SATRAPLATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834369, "molecule_chembl_id": "CHEMBL3833367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.28", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "image_file": "metalContaining.svg", "compound_key": "SATRAPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835252", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYDROGESTERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835252, "molecule_chembl_id": "CHEMBL1200853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dydrogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01426", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835057", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRLINDOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835057, "molecule_chembl_id": "CHEMBL32350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirlindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154317", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154317, "molecule_chembl_id": "CHEMBL565269", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-62247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4110.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153594", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOKETOCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153594, "molecule_chembl_id": "CHEMBL295698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ketoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149285", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1292263", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149285, "molecule_chembl_id": "CHEMBL3187503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK1292263"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829903", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829903, "molecule_chembl_id": "CHEMBL47529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-28080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(OCc3ccccc3)cccn2c1CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153700", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERADIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153700, "molecule_chembl_id": "CHEMBL514409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.67", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HESPERADIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOCANLIDIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830559, "molecule_chembl_id": "CHEMBL128251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.40", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OMEGA-(4-IODOPHENYL)PENTADECANOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCCCCCCCc1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835471", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835471, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3754", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149927", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149927, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150169", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150169, "molecule_chembl_id": "CHEMBL51", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834829", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834829, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830133, "molecule_chembl_id": "CHEMBL71191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN AG 1296 (AG 1296)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncc(-c3ccccc3)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830018", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830018, "molecule_chembl_id": "CHEMBL440298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.39", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-556"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834727", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "18.85 \u00b1 2.5", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834727, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18850.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835096", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835096, "molecule_chembl_id": "CHEMBL1331280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.74", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-581"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1456", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835209", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBETASONE BUTYRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835209, "molecule_chembl_id": "CHEMBL2308885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.99", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clobetasone-butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1427", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834780", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "16.45 \u00b1 0.42", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834780, "molecule_chembl_id": "CHEMBL1368758", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "408.29", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16450.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829995", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-THIORPHAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829995, "molecule_chembl_id": "CHEMBL298827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIORPHAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829624", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829624, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUPHENAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829572", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829572, "molecule_chembl_id": "CHEMBL1200820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.55", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIPERACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830389", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATIPRIMOD DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830389, "molecule_chembl_id": "CHEMBL3215883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ATIPRIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834335", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834335, "molecule_chembl_id": "CHEMBL4303645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NAB-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831338", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831338, "molecule_chembl_id": "CHEMBL410456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-4476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831346", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ULIPRISTAL ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831346, "molecule_chembl_id": "CHEMBL260538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ULIPRISTAL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836222", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZALUTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836222, "molecule_chembl_id": "CHEMBL1082407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.44", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enzalutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836360", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVASTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836360, "molecule_chembl_id": "CHEMBL1144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.53", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pravastatin (sodium salt), Pravachol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831318", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831318, "molecule_chembl_id": "CHEMBL1256808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.92", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-96365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836190", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULBACTAM PIVOXIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836190, "molecule_chembl_id": "CHEMBL423875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.39", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulbactam-pivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838881", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838881, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836563", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.232714858,0.189898759)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836563, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827340", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827340, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38630.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831391", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCITEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831391, "molecule_chembl_id": "CHEMBL513024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLYCITEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831587", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-9283", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831587, "molecule_chembl_id": "CHEMBL495727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.44", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831432", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXISULIND", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831432, "molecule_chembl_id": "CHEMBL488025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EXISULIND"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831780", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COTININE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831780, "molecule_chembl_id": "CHEMBL578211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.22", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(-)-COTININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC[C@H]1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836219", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYCYCLINE HYCLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836219, "molecule_chembl_id": "CHEMBL3989740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1025.89", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "doxycycline-hyclate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835966", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUGENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835966, "molecule_chembl_id": "CHEMBL42710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eugenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2298", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836241", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836241, "molecule_chembl_id": "CHEMBL106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.28", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1493", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831371", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831371, "molecule_chembl_id": "CHEMBL273019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.27", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BERGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831377", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831377, "molecule_chembl_id": "CHEMBL408963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.73", "alogp": "4.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TMC353121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831572", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831572, "molecule_chembl_id": "CHEMBL513147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN193189 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "74.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836444", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILUZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836444, "molecule_chembl_id": "CHEMBL744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.20", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riluzole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(OC(F)(F)F)cc2s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831340", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831340, "molecule_chembl_id": "CHEMBL264406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.40", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-NAPHTHYL-PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830890", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLATED HYDROXYANISOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830890, "molecule_chembl_id": "CHEMBL192451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.25", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYLATED HYDROXYANISOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830902", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLPARABEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830902, "molecule_chembl_id": "CHEMBL194014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.20", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPYL 4-HYDROXYBENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830533", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830533, "molecule_chembl_id": "CHEMBL1417783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.99", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DILTIAZEM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835384", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARATRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835384, "molecule_chembl_id": "CHEMBL1278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.47", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naratriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835385", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEBIVOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835385, "molecule_chembl_id": "CHEMBL1201731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.90", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nebivolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835440", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRENOGEST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835440, "molecule_chembl_id": "CHEMBL1315492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "altrenogest"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04669", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835051", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIKETOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835051, "molecule_chembl_id": "CHEMBL2106966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piketoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830540", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARETHOXYCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830540, "molecule_chembl_id": "CHEMBL1603742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(DIETHYLAMINO)ETHYL 4-ETHOXYBENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830348", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830348, "molecule_chembl_id": "CHEMBL1200885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.82", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOSETRON HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834282", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834282, "molecule_chembl_id": "CHEMBL4303431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.72", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834363, "molecule_chembl_id": "CHEMBL275338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIAMCINOLONE ACETONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834562", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834562, "molecule_chembl_id": "CHEMBL4303725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.16", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-METHYLADENINE (3-MA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(=N)c2nc[nH]c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829666", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829666, "molecule_chembl_id": "CHEMBL480718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FADROZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc([C@H]2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835020", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835020, "molecule_chembl_id": "CHEMBL1437065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.13", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835102", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORAFENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835102, "molecule_chembl_id": "CHEMBL1336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.83", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sorafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830578", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830578, "molecule_chembl_id": "CHEMBL336161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.39", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A61603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830359", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830359, "molecule_chembl_id": "CHEMBL97257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK-571 (SODIUM SALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCS[C@@H](SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834588", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRUVATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834588, "molecule_chembl_id": "CHEMBL1162144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "88.06", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-OXOPROPANOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "U-0126", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830363, "molecule_chembl_id": "CHEMBL100473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834428", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834428, "molecule_chembl_id": "CHEMBL507305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.15", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ANSAMITOCIN P-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "62.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\\C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829730", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIDOFOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829730, "molecule_chembl_id": "CHEMBL152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIDOFOVIR (VISTIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830489", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DULOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830489, "molecule_chembl_id": "CHEMBL1200328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.88", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DULOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830155", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830155, "molecule_chembl_id": "CHEMBL303958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.29", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU6027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "62.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830009", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARAGINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830009, "molecule_chembl_id": "CHEMBL58832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.12", "alogp": "-1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-ASPARAGINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835084", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMANTADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835084, "molecule_chembl_id": "CHEMBL959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.31", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rimantadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1024", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835435", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPROMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835435, "molecule_chembl_id": "CHEMBL829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.45", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "alimemazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835437", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLOPURINOL RIBOSIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835437, "molecule_chembl_id": "CHEMBL1213178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.23", "alogp": "-2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Allopurinol riboside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2n([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[nH]cc1-2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150275", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150275, "molecule_chembl_id": "CHEMBL52030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.37", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-655;708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153709", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153709, "molecule_chembl_id": "CHEMBL4129809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR7334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150216", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITISINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150216, "molecule_chembl_id": "CHEMBL1337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitisinone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACTULOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150060, "molecule_chembl_id": "CHEMBL296306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LACTULOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153767", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153767, "molecule_chembl_id": "CHEMBL569864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.65", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX-01294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150364", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150364, "molecule_chembl_id": "CHEMBL686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "153"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150100", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150100, "molecule_chembl_id": "CHEMBL112710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.12", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF 97541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CP(=O)(O)CCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153686", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153686, "molecule_chembl_id": "CHEMBL513021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "6.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MILTEFOSINE [5mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831412", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831412, "molecule_chembl_id": "CHEMBL512504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-769662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831488", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLOROGLUCINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831488, "molecule_chembl_id": "CHEMBL473159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHLOROGLUCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836186", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILDENAFIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836186, "molecule_chembl_id": "CHEMBL192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.59", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827337", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.32", "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827337, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4770.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836491", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARTIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836491, "molecule_chembl_id": "CHEMBL274323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.10", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Aspartic-Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834238", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834238, "molecule_chembl_id": "CHEMBL4303565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.96", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CALHEX-231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834305", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834305, "molecule_chembl_id": "CHEMBL4303405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N'-DIACETYL-L-CYSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829893", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829893, "molecule_chembl_id": "CHEMBL1256874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.50", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834597", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834597, "molecule_chembl_id": "CHEMBL4303374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.28", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YODA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835849", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835849, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brinzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154601", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154601, "molecule_chembl_id": "CHEMBL1459140", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "300.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexinhib20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835820", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALTOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835820, "molecule_chembl_id": "CHEMBL1765291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaltoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150260", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOHESPERIDIN DIHYDROCHALCONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150260, "molecule_chembl_id": "CHEMBL1159645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.58", "alogp": "-1.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Neohesperidin dihydrochalcone (Nhdc)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150352, "molecule_chembl_id": "CHEMBL4303249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clevudine (Levovir)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153763", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASUDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153763, "molecule_chembl_id": "CHEMBL541388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.84", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FASUDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154604", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154604, "molecule_chembl_id": "CHEMBL1551597", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "491.65", "alogp": "6.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-55-0396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150345", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150345, "molecule_chembl_id": "CHEMBL1256838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.48", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-99194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153306", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153306, "molecule_chembl_id": "CHEMBL415049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.55", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "barasertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154586", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154586, "molecule_chembl_id": "CHEMBL412099", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "378.82", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MF63"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.48", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3ccccc3c2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149261", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149261, "molecule_chembl_id": "CHEMBL333133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.20", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Phenoxypyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835733", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALIDOXIME CHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835733, "molecule_chembl_id": "CHEMBL748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.61", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pralidoxime-chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1477", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccccc1/C=N/O.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154552", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154552, "molecule_chembl_id": "CHEMBL80713", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.82", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154556", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154556, "molecule_chembl_id": "CHEMBL301499", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DHCaA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.25", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150371", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150371, "molecule_chembl_id": "CHEMBL2313646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HJC0350"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150099", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUERARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150099, "molecule_chembl_id": "CHEMBL486386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Puerarin (Kakonein)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150240", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150240, "molecule_chembl_id": "CHEMBL1705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.56", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLONIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835736", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAZOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835736, "molecule_chembl_id": "CHEMBL2", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.41", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835808", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARDENAFIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835808, "molecule_chembl_id": "CHEMBL1520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vardenafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146688", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVASTATIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146688, "molecule_chembl_id": "CHEMBL690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.52", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAVASTATIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146280", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146280, "molecule_chembl_id": "CHEMBL1818385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.35", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AU1235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151300", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151300, "molecule_chembl_id": "CHEMBL4303652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.83", "alogp": "4.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Valnemulin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151235", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151235, "molecule_chembl_id": "CHEMBL3182200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Oleoylglycerol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151861", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151861, "molecule_chembl_id": "CHEMBL2029422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.60", "alogp": "3.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB8761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148047, "molecule_chembl_id": "CHEMBL586702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.42", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZSTK474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147275", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147275, "molecule_chembl_id": "CHEMBL3349991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.28", "alogp": "-1.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-(4-carboxyphenyl)-alpha-D-mannopyranosylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150697", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150697, "molecule_chembl_id": "CHEMBL1684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENDROFLUMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145951", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145951, "molecule_chembl_id": "CHEMBL342375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.46", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XE991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152040", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERUBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152040, "molecule_chembl_id": "CHEMBL492399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Verubulin hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147535", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147535, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NG-nitro-arginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146606", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146606, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRANLUKAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147158", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147158, "molecule_chembl_id": "CHEMBL302529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146611", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LXR-623", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146611, "molecule_chembl_id": "CHEMBL456237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.78", "alogp": "6.70", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "LXR-623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151922", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151922, "molecule_chembl_id": "CHEMBL4303679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.59", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-1100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146620", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETOZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146620, "molecule_chembl_id": "CHEMBL1697853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETOZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146621", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146621, "molecule_chembl_id": "CHEMBL2028019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cariprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150712", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150712, "molecule_chembl_id": "CHEMBL1484857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCCINYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150586", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150586, "molecule_chembl_id": "CHEMBL275338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIAMCINOLONE ACETONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146287", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PA-799", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146287, "molecule_chembl_id": "CHEMBL1684984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.43", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CH5132799"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147142", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147142, "molecule_chembl_id": "CHEMBL1314130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.58", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DHBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146289", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146289, "molecule_chembl_id": "CHEMBL2359260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.00", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "loreclezole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl/C(=C\\n1cncn1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146444", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146444, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150952", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMONONETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150952, "molecule_chembl_id": "CHEMBL242341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Formononetin (Formononetol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151871", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151871, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clofarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150959", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTIAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150959, "molecule_chembl_id": "CHEMBL1200589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.10", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefotiam (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148818", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "D-PHENYLALANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148818, "molecule_chembl_id": "CHEMBL379630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-PHENYLALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152106", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALANYL GLUTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152106, "molecule_chembl_id": "CHEMBL3707366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "-1.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Alanine-L-glutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150965", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAMODENOSON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150965, "molecule_chembl_id": "CHEMBL431733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.74", "alogp": "1.06", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CF102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146464", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUVANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146464, "molecule_chembl_id": "CHEMBL2104980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.90", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pruvanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151880", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151880, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151139", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELIPRODIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151139, "molecule_chembl_id": "CHEMBL28564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Eliprodil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146640", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146640, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLMITRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152228", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3-HYDROXYBUTYRIC ACID, (+/-)-", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152228, "molecule_chembl_id": "CHEMBL1162496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "104.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "beta-Hydroxybutyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152160, "molecule_chembl_id": "CHEMBL1413622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 3 [PMID: 23849879]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146653", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146653, "molecule_chembl_id": "CHEMBL2367465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.12", "alogp": "-1.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALENDRONATE SODIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.O.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153599", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153599, "molecule_chembl_id": "CHEMBL1825141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(S)-crizotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149302", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149302, "molecule_chembl_id": "CHEMBL1529736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.10", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-9741"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nn1cnnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146081", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROMIDIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146081, "molecule_chembl_id": "CHEMBL311350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROMIDIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150584", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150584, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nisoldipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152887", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152887, "molecule_chembl_id": "CHEMBL104264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-89"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152550", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOMASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152550, "molecule_chembl_id": "CHEMBL19611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ILOMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154069", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILCICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154069, "molecule_chembl_id": "CHEMBL564829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.59", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MILCICLIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152037", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152037, "molecule_chembl_id": "CHEMBL3259907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI 224436"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147868, "molecule_chembl_id": "CHEMBL403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.25", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149939", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARAFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149939, "molecule_chembl_id": "CHEMBL542157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.83", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SARAFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153252", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALOXIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153252, "molecule_chembl_id": "CHEMBL81", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.59", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "raloxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152979", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152979, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "picropodophyllin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147104", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147104, "molecule_chembl_id": "CHEMBL471728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.61", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GANT-61"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149870", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149870, "molecule_chembl_id": "CHEMBL1473849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.24", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-83566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150683", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150683, "molecule_chembl_id": "CHEMBL3133036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU-SKI-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CNCC(=O)N1CCc2sccc2C1COc1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150714", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLRESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150714, "molecule_chembl_id": "CHEMBL436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151103", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARGLITAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151103, "molecule_chembl_id": "CHEMBL55624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "darglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151108", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151108, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tamibarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150749", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150749, "molecule_chembl_id": "CHEMBL541521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.80", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIDOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150769", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150769, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nordihydroguaiaretic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151129", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEDROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151129, "molecule_chembl_id": "CHEMBL1974890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cedrol-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150555", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150555, "molecule_chembl_id": "CHEMBL514201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.01", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151088", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1-METHYLTRYPTOPHAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151088, "molecule_chembl_id": "CHEMBL513172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-MT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(CC(N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146071", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146071, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Dactolisib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153256", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153256, "molecule_chembl_id": "CHEMBL27323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.37", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIBR1532"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147424", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147424, "molecule_chembl_id": "CHEMBL117405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pindolol-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151197", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELANZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151197, "molecule_chembl_id": "CHEMBL270515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.28", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "DELANZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151209", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151209, "molecule_chembl_id": "CHEMBL2172106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-628706"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146706", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISADIMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146706, "molecule_chembl_id": "CHEMBL2106668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lisadimate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)OCC(O)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146286", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METIPRANOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146286, "molecule_chembl_id": "CHEMBL1291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methypranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146880", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146880, "molecule_chembl_id": "CHEMBL64391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ITRACONAZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150710", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150710, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rivaroxaban (Xarelto)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINYL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148123, "molecule_chembl_id": "CHEMBL486193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Retinol acetate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148124", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148124, "molecule_chembl_id": "CHEMBL605003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU6656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAPROTERENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151047, "molecule_chembl_id": "CHEMBL776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METAPROTERENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146223", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146223, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gestodene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151690", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151690, "molecule_chembl_id": "CHEMBL4303480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.71", "alogp": "2.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lappaconite Hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148015", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148015, "molecule_chembl_id": "CHEMBL1889140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.87", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropivacaine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148145", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITECAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148145, "molecule_chembl_id": "CHEMBL167055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitecapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151830", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151830, "molecule_chembl_id": "CHEMBL3039366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMADINONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147330", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUCIDINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147330, "molecule_chembl_id": "CHEMBL3621988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Chidamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151808", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ULIPRISTAL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151808, "molecule_chembl_id": "CHEMBL260538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ulipristal acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147199", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147199, "molecule_chembl_id": "CHEMBL2381342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX-02189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146560", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146560, "molecule_chembl_id": "CHEMBL3353187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.87", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-2444697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)co2)ccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146562", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146562, "molecule_chembl_id": "CHEMBL1604244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.36", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hexylcaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154094", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-833923", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154094, "molecule_chembl_id": "CHEMBL3545403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.58", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BMS-833923 (XL139)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151679", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINACIDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151679, "molecule_chembl_id": "CHEMBL1159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PINACIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N/C(=N\\C#N)Nc1ccncc1)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145950", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145950, "molecule_chembl_id": "CHEMBL365141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.61", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "U-18666A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151188", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BATEFENTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151188, "molecule_chembl_id": "CHEMBL3039518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "740.26", "alogp": "6.43", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Batefenterol succinate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151041", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151041, "molecule_chembl_id": "CHEMBL4303459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SSR128129E (SSR)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)n2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150480", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINAPRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150480, "molecule_chembl_id": "CHEMBL278819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINAPRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150761", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URACIL MUSTARD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150761, "molecule_chembl_id": "CHEMBL1488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "uracil-mustard"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956918", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZBROMARONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956918, "molecule_chembl_id": "CHEMBL388590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.09", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZBROMARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956883", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956883, "molecule_chembl_id": "CHEMBL1256714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.41", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APNEA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963071", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963071, "molecule_chembl_id": "CHEMBL4303237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.27", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-276"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CC(F)(F)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957844", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITAXENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957844, "molecule_chembl_id": "CHEMBL282724", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAXENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145669", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLOROACETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145669, "molecule_chembl_id": "CHEMBL13960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.94", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "dichloroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961102", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDREXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961102, "molecule_chembl_id": "CHEMBL1256832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydrexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961592", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961592, "molecule_chembl_id": "CHEMBL470584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.32", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zilpaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3242", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955760", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955760, "molecule_chembl_id": "CHEMBL521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibuprofen\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955764", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955764, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxipurinol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955683", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARVACROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955683, "molecule_chembl_id": "CHEMBL281202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antioxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960545", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARAPLADIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960545, "molecule_chembl_id": "CHEMBL204021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "666.79", "alogp": "7.22", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Darapladib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959443", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959443, "molecule_chembl_id": "CHEMBL4303396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "576.63", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Bafetinib (INNO-406)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.304", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960551", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOLPHTHALEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960551, "molecule_chembl_id": "CHEMBL63857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.33", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENOLPHTHALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959223", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959223, "molecule_chembl_id": "CHEMBL4303469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.76", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-26314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)NCc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960468", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROPIRIMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960468, "molecule_chembl_id": "CHEMBL37387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.10", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bropirimine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c(Br)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960469", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960469, "molecule_chembl_id": "CHEMBL1231018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APY-29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc3[nH]cnc3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960554", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960554, "molecule_chembl_id": "CHEMBL168972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.43", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-95639A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955694", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955694, "molecule_chembl_id": "CHEMBL1201010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.49", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fludrocortisone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960471", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENICILLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960471, "molecule_chembl_id": "CHEMBL1430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Penicillamine (Cuprimine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960562", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-242235", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960562, "molecule_chembl_id": "CHEMBL95692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 242235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.906", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960473", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960473, "molecule_chembl_id": "CHEMBL514201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.01", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "talmapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960188", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MORIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960188, "molecule_chembl_id": "CHEMBL28626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morin hydrate (Aurantica)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961236", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STREPTOZOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961236, "molecule_chembl_id": "CHEMBL1603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STREPTOZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956247", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956247, "molecule_chembl_id": "CHEMBL1818385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.35", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AU1235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961127", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEMOZOLOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961127, "molecule_chembl_id": "CHEMBL810", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.15", "alogp": "-2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TEMOZOLOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc2c(C(N)=O)ncn2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961246", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961246, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TILORONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.472", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961132", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOLITHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961132, "molecule_chembl_id": "CHEMBL1232510", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "845.02", "alogp": "4.60", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Solithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956483", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TXA127", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956483, "molecule_chembl_id": "CHEMBL3545347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "899.02", "alogp": "-1.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "angiotensin-(1-7)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960678", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960678, "molecule_chembl_id": "CHEMBL2311933", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.66", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960482", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960482, "molecule_chembl_id": "CHEMBL1433489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.40", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KB-R7943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960487", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960487, "molecule_chembl_id": "CHEMBL1371156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-54443"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.917", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(O)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958993", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANDICIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958993, "molecule_chembl_id": "CHEMBL1200647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1109.32", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CANDICIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960806", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960806, "molecule_chembl_id": "CHEMBL3622373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.05", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SGC-CBP30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961373", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TREPIBUTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961373, "molecule_chembl_id": "CHEMBL1725880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trepibutone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961467", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961467, "molecule_chembl_id": "CHEMBL494480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADL5859 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148931", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148931, "molecule_chembl_id": "CHEMBL35093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168568"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153537, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEPHARANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153444", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153444, "molecule_chembl_id": "CHEMBL4303616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.75", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-1423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154548", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154548, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.98", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150164", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150164, "molecule_chembl_id": "CHEMBL1897738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clinofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150235", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150235, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOFETILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150750", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150750, "molecule_chembl_id": "CHEMBL1208118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.47", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-06126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(S(=O)(=O)O)cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147159", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147159, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(-)-Cytisine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151404", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151404, "molecule_chembl_id": "CHEMBL272357", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.18", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-mu-8C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2c(C=O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146419", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146419, "molecule_chembl_id": "CHEMBL333081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY288513"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NN(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146425", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEOYLETHANOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146425, "molecule_chembl_id": "CHEMBL280065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.54", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEOYLETHANOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150931", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150931, "molecule_chembl_id": "CHEMBL4065484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.41", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EED226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150933", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150933, "molecule_chembl_id": "CHEMBL4303330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCc1c[nH]c2ccccc12)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146430", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146430, "molecule_chembl_id": "CHEMBL1416055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.52", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PETCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](Cc1ccncc1)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151089", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUSCIMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151089, "molecule_chembl_id": "CHEMBL273481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MUSCIMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151097", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151097, "molecule_chembl_id": "CHEMBL550495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.91", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146598", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYAMIDOTRIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146598, "molecule_chembl_id": "CHEMBL95431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.68", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "carboxyamidotriazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151102", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCAFTADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151102, "molecule_chembl_id": "CHEMBL1201747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alcaftadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956993", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956993, "molecule_chembl_id": "CHEMBL1206440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM CYCLAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957827", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITISINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957827, "molecule_chembl_id": "CHEMBL1337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITISINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962517", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962517, "molecule_chembl_id": "CHEMBL301707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.49", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-MPPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151612", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151612, "molecule_chembl_id": "CHEMBL4541449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.19", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound (+)17a [PMID: 20363624]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1c2c(-c3nnn[nH]3)n[nH]c2[C@@H]2C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956926", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956926, "molecule_chembl_id": "CHEMBL511749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.50", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963077", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOCAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963077, "molecule_chembl_id": "CHEMBL278172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148956", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOCODAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148956, "molecule_chembl_id": "CHEMBL9514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.33", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nocodazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957757", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOSULPIRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957757, "molecule_chembl_id": "CHEMBL267044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SULPIRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961950", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACRIVASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961950, "molecule_chembl_id": "CHEMBL1224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acrivastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962698", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962698, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILOSTAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957512", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "R-406", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957512, "molecule_chembl_id": "CHEMBL475251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.46", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957997", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957997, "molecule_chembl_id": "CHEMBL1541983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.47", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC1PNDOP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(CCC(=O)N2CCC2)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958276", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958276, "molecule_chembl_id": "CHEMBL4547032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "QUETIAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958102", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958102, "molecule_chembl_id": "CHEMBL275628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.21", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-fluorotryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(F)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958109", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3,5-DINITROCATECHOL (OR-486)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958109, "molecule_chembl_id": "CHEMBL168276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.11", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OR-486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962295", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLSALAZINE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962295, "molecule_chembl_id": "CHEMBL1201013", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLSALAZINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961988", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961988, "molecule_chembl_id": "CHEMBL1382901", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.35", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cardionogen-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962320", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXFENFLURAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962320, "molecule_chembl_id": "CHEMBL1887891", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.72", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexfenfluramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962371", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPROPHAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962371, "molecule_chembl_id": "CHEMBL104560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorpropham"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962459", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-ISOTHIOUREIDOBUTYRONITRILE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962459, "molecule_chembl_id": "CHEMBL4297540", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.22", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Kevetrin (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962556", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962556, "molecule_chembl_id": "CHEMBL1234916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-acetyl-L-serine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962561", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEMAXANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962561, "molecule_chembl_id": "CHEMBL276711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "semaxanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962564", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962564, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962478", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962478, "molecule_chembl_id": "CHEMBL1356094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.15", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;3-DCPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.334", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNCCCOc1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962483", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962483, "molecule_chembl_id": "CHEMBL495575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.49", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY 316606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NC1CCNCC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962492", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GRAPIPRANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962492, "molecule_chembl_id": "CHEMBL3039498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.62", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Grapiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957986", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIGATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957986, "molecule_chembl_id": "CHEMBL3545311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.11", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "brigatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957602", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957602, "molecule_chembl_id": "CHEMBL4539512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.58", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK484"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CC[C@@H](O)[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962257", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Y-39983", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962257, "molecule_chembl_id": "CHEMBL571948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Y-33075 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957689", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957689, "molecule_chembl_id": "CHEMBL4303293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957586", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-6482", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957586, "molecule_chembl_id": "CHEMBL2165191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD6482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957591", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957591, "molecule_chembl_id": "CHEMBL1209431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN 238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962868, "molecule_chembl_id": "CHEMBL2403319", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.63", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lomibuvir (VX-222; VCH-222)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@@H](O)CC2)c(C(=O)O)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962499", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SARSASAPOGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962499, "molecule_chembl_id": "CHEMBL1171146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sarsasapogenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962876, "molecule_chembl_id": "CHEMBL1398474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.89", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "10-DEBC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957998", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957998, "molecule_chembl_id": "CHEMBL4576320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.53", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK1702934A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc2c(s1)CCCCC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961748", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SACCHARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961748, "molecule_chembl_id": "CHEMBL310671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.19", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "saccharin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NS(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958042", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958042, "molecule_chembl_id": "CHEMBL4525833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "958.24", "alogp": "6.20", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "EVEROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C\\1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958931", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958931, "molecule_chembl_id": "CHEMBL1572655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.05", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MITOTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963397", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYFLUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963397, "molecule_chembl_id": "CHEMBL491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-hydroxyflutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963808", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "U-0126", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963808, "molecule_chembl_id": "CHEMBL100473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960308", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960308, "molecule_chembl_id": "CHEMBL1206690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Parecoxib sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964072", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICORANDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964072, "molecule_chembl_id": "CHEMBL284906", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.18", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICORANDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO[N+](=O)[O-])c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958928", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958928, "molecule_chembl_id": "CHEMBL3401292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "596.76", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GDC-0834 (Racemate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@H]3C(=O)N(C)CCN3C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962862", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962862, "molecule_chembl_id": "CHEMBL2074689", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "637.00", "alogp": "5.21", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LY335979 (Zosuquidar trihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962716", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962716, "molecule_chembl_id": "CHEMBL2181247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.37", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPBAR-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9218", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2nccc(-c3ccccc3F)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962722", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962722, "molecule_chembl_id": "CHEMBL525191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0879"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2ccc3c(c2)CC/C3=N\\O)c(-c2ccncc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957078, "molecule_chembl_id": "CHEMBL2062804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.58", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEP-33779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957972", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957972, "molecule_chembl_id": "CHEMBL7092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.65", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119768"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957511", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLORGILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957511, "molecule_chembl_id": "CHEMBL8706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.18", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLORGILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)CCCOc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958275", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958275, "molecule_chembl_id": "CHEMBL1523019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Madrasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(Nc3nc(C)c(C)c(O)n3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962714", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPACADOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962714, "molecule_chembl_id": "CHEMBL3545369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.24", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Epacadostat (INCB024360)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.456", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958282", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958282, "molecule_chembl_id": "CHEMBL20943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.39", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "vesamicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1CCCCC1N1CCC(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957999", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957999, "molecule_chembl_id": "CHEMBL1464225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962888", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962888, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cefixime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962707", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962707, "molecule_chembl_id": "CHEMBL2270078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dehydrocorydaline (chloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961754", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961754, "molecule_chembl_id": "CHEMBL429910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957796", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECLIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957796, "molecule_chembl_id": "CHEMBL1623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.96", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MECLIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960195", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYROXAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960195, "molecule_chembl_id": "CHEMBL353581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "pyroxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1cccnc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963721", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963721, "molecule_chembl_id": "CHEMBL522618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.39", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959117", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959117, "molecule_chembl_id": "CHEMBL263291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "875.11", "alogp": "5.60", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "IVERMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959118", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959118, "molecule_chembl_id": "CHEMBL308534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TESTOSTERONE PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960635, "molecule_chembl_id": "CHEMBL458997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.95", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TAE226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961415", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NARLAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961415, "molecule_chembl_id": "CHEMBL1255891", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "707.98", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Narlaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.556", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958434", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958434, "molecule_chembl_id": "CHEMBL332005", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961633", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961633, "molecule_chembl_id": "CHEMBL1829173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.45", "alogp": "6.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMG 837 (calcium hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956648", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956648, "molecule_chembl_id": "CHEMBL264406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.40", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Naphthyl PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961428", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATIPRIMOD DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961428, "molecule_chembl_id": "CHEMBL3215883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "atiprimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961157", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPARTEINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961157, "molecule_chembl_id": "CHEMBL2303617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.54", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPARTEINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.O.O.O.O.O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963439", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963439, "molecule_chembl_id": "CHEMBL214253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.33", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-407824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.951", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963442", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACLATASVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963442, "molecule_chembl_id": "CHEMBL2023898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "738.89", "alogp": "6.22", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daclatasvir (BMS-790052)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-222.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958839, "molecule_chembl_id": "CHEMBL64391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ITRACONAZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963050", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963050, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brinzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960756", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COUMARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960756, "molecule_chembl_id": "CHEMBL6466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COUMARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150173", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBROSPIDIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150173, "molecule_chembl_id": "CHEMBL2106677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.19", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;12-Bis(3-bromopropanoyl)-3;12-diaza-6;9-diazoniadispiro[5.2.5.2]hexadecane dichloride dichloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCBr)N1CC[N+]2(CC1)CC[N+]1(CCN(C(=O)CCBr)CC1)CC2.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150212", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIENTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150212, "molecule_chembl_id": "CHEMBL3989777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.16", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIENTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149784", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149784, "molecule_chembl_id": "CHEMBL1600780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.86", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-723C86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149791", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149791, "molecule_chembl_id": "CHEMBL4563787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.81", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID9863537"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)C1C(=O)c2c(Cl)cccc2N(C)C1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154303", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154303, "molecule_chembl_id": "CHEMBL4303151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT4165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=Cc2cccnc2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149998", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GDC-0152", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149998, "molecule_chembl_id": "CHEMBL2063869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.65", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149806", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149806, "molecule_chembl_id": "CHEMBL4303227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "951.21", "alogp": "2.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Antagonist-G"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961105", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961105, "molecule_chembl_id": "CHEMBL2178953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROPIFEXOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956652, "molecule_chembl_id": "CHEMBL4298169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.59", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "tropifexor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(F)c2nc(N3[C@H]4CC[C@@H]3C[C@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963899", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORAMINE-T", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963899, "molecule_chembl_id": "CHEMBL1697734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.65", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORAMINE-T"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959297", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959297, "molecule_chembl_id": "CHEMBL1455300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terreic-acid-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963328", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963328, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cantharidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958728, "molecule_chembl_id": "CHEMBL1972294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.62", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORNITHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955527", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955527, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Enrofloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957945", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957945, "molecule_chembl_id": "CHEMBL3185634", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.68", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETAMIPRID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NC#N)N(C)Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962374", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962374, "molecule_chembl_id": "CHEMBL3906257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001 (RG-6016) 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.769", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962187", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962187, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUPHENAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957697", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957697, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CHIR-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962358", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962358, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "lixivaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962672", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1-Aminocyclopropane carboxylic acid", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962672, "molecule_chembl_id": "CHEMBL265325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "101.11", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Aminocyclopropanecarboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962673", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOGUVACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962673, "molecule_chembl_id": "CHEMBL540303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.60", "alogp": "-0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoguvacine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.938", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEPTYLFORMAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958078, "molecule_chembl_id": "CHEMBL43719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEPTYLFORMAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCNC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962400", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRANSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962400, "molecule_chembl_id": "CHEMBL4297188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Miransertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "119.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962154", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROQUAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962154, "molecule_chembl_id": "CHEMBL268501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "proquazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957557", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957557, "molecule_chembl_id": "CHEMBL193482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "estriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957095", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NERATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957095, "molecule_chembl_id": "CHEMBL180022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.05", "alogp": "5.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NERATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962338", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FAROPENEM MEDOXOMIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962338, "molecule_chembl_id": "CHEMBL1257070", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.41", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Faropenem daloxate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.389", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962346", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALIMETINIB MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962346, "molecule_chembl_id": "CHEMBL2364627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.75", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY2228820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962175", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AUS-131", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962175, "molecule_chembl_id": "CHEMBL198877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Equol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957949", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957949, "molecule_chembl_id": "CHEMBL3402962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.32", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(Benzyloxy)benzenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962354", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIGULDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962354, "molecule_chembl_id": "CHEMBL405355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "609.72", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "niguldipine-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962356", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOZASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962356, "molecule_chembl_id": "CHEMBL572878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.60", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-680 (MK-0457; Tozasertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8803", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957759", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TICLOPIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957759, "molecule_chembl_id": "CHEMBL833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.79", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TICLOPIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957760", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIAZOXIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957760, "molecule_chembl_id": "CHEMBL181", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.68", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIAZOXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NS(=O)(=O)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962680", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEBACIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962680, "molecule_chembl_id": "CHEMBL1232164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.25", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "disodium sebacate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962681", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962681, "molecule_chembl_id": "CHEMBL278751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.44", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UH-232-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.662", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956788", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DODECANOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956788, "molecule_chembl_id": "CHEMBL108766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.32", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lauric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958112", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENYLUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958112, "molecule_chembl_id": "CHEMBL354676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,3-DIPHENYLUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957070", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-7420", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957070, "molecule_chembl_id": "CHEMBL3330650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.22", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962398", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962398, "molecule_chembl_id": "CHEMBL1794737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.14", "alogp": "-3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "glucaric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962996", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEDAPLATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962996, "molecule_chembl_id": "CHEMBL3137685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.18", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "image_file": "metalContaining.svg", "compound_key": "Nedaplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962801", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANIDINOETHYLDISULFIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962801, "molecule_chembl_id": "CHEMBL105278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.37", "alogp": "-0.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "guanidinoethyldisulfide-bicarbonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.016", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCSSCCNC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963100", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963100, "molecule_chembl_id": "CHEMBL1592663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.54", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIZOTYLINE MALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.017", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963008", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NB-ACETYLTRYPTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963008, "molecule_chembl_id": "CHEMBL33171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyltryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.814", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963165", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963165, "molecule_chembl_id": "CHEMBL3260990", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.78", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESI-09"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cccc(Cl)c2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963487", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVAGACESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963487, "molecule_chembl_id": "CHEMBL1090771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.89", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BMS-708163 (Avagacestat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964330", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964330, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959245", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959245, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "amisulpride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956631", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956631, "molecule_chembl_id": "CHEMBL3699142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-847325"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(CN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964215", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.55", "bao_label": "assay format", "molecule_pref_name": "SKF-38393", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964215, "molecule_chembl_id": "CHEMBL286080", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958667", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958667, "molecule_chembl_id": "CHEMBL4303504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1435.24", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Norvancomycin (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.152", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](N)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958669", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXALACTAM DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958669, "molecule_chembl_id": "CHEMBL1200357", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.44", "alogp": "-1.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MOXALACTAM DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958671", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALFUZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958671, "molecule_chembl_id": "CHEMBL1723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALFUZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958594", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(S)-NITRENDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958594, "molecule_chembl_id": "CHEMBL251230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITRENDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.315", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963198", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYFASUDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963198, "molecule_chembl_id": "CHEMBL1233300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.38", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxyfasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.854", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958316", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERPYRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958316, "molecule_chembl_id": "CHEMBL89445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TERPYRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cccc(-c3ccccn3)n2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962928", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962928, "molecule_chembl_id": "CHEMBL2178284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.27", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MUT056399"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(O)c(Oc2ccc(C(N)=O)cc2F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964022", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOBUTAMBEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964022, "molecule_chembl_id": "CHEMBL1985617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isobutamben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145648", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145648, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "dutasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145652, "molecule_chembl_id": "CHEMBL3827932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK9311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)c1ccccc1OC)c1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153622", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153622, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cabozantinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958788", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958788, "molecule_chembl_id": "CHEMBL193482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964354", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964354, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963400", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963400, "molecule_chembl_id": "CHEMBL542541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.64", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDRALAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958798", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMIPRAMINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958798, "molecule_chembl_id": "CHEMBL1200948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMIPRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.109", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAMOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963402, "molecule_chembl_id": "CHEMBL177880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.38", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrantel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963607", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RS-102,221", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963607, "molecule_chembl_id": "CHEMBL88402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.63", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-102221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960438", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETHADIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960438, "molecule_chembl_id": "CHEMBL695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.14", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.959", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)OC(C)(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958810", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDRYSONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958810, "molecule_chembl_id": "CHEMBL1201173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEDRYSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958813", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958813, "molecule_chembl_id": "CHEMBL74987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydroxyphenylglycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958923", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958923, "molecule_chembl_id": "CHEMBL228043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.01", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LFM-A13"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1cc(Br)ccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958822", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958822, "molecule_chembl_id": "CHEMBL537161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "medetomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(C)c2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958431", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958431, "molecule_chembl_id": "CHEMBL4585840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.26", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Dethiobiotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1NC(=O)NC1CCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958263", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958263, "molecule_chembl_id": "CHEMBL4550602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.65", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SOLASODINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@H]1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958652, "molecule_chembl_id": "CHEMBL4303663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.36", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bicuculline-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2C1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959029", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETOROLAC TROMETHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959029, "molecule_chembl_id": "CHEMBL1201124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOROLAC TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963634", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963634, "molecule_chembl_id": "CHEMBL254575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY456236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963260", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOXAGLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963260, "molecule_chembl_id": "CHEMBL1201291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1268.88", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ioxaglic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958657", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETADEX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958657, "molecule_chembl_id": "CHEMBL415690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1134.99", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Beta-Cyclodextrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959040", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLORALUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959040, "molecule_chembl_id": "CHEMBL2106294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.83", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLORALUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963652, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mizoribine (Bredinin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963521", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VICRIVIROC MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963521, "molecule_chembl_id": "CHEMBL2107384", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "649.71", "alogp": "4.50", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Vicriviroc (maleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959004", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETOCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959004, "molecule_chembl_id": "CHEMBL157101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "KETOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959474", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959474, "molecule_chembl_id": "CHEMBL2093950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Deazaadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955963", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETINAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955963, "molecule_chembl_id": "CHEMBL81379", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "5.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Retinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955987", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LONIDAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955987, "molecule_chembl_id": "CHEMBL1257030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.16", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Diclondazolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963403", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMFENAC SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963403, "molecule_chembl_id": "CHEMBL435759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.25", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amfenac Sodium (monohydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964448", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964448, "molecule_chembl_id": "CHEMBL4303312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.80", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riodoxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c(O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955657", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955657, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Piceid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963411", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963411, "molecule_chembl_id": "CHEMBL488093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PYRITINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958924", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPERODON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958924, "molecule_chembl_id": "CHEMBL2109119", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "DIPERODON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149141", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149141, "molecule_chembl_id": "CHEMBL1669669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.39", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPPTB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149972", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149972, "molecule_chembl_id": "CHEMBL1191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.34", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149608", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149608, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirabegron\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151826", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151826, "molecule_chembl_id": "CHEMBL1723412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Piricapiron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147191", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147191, "molecule_chembl_id": "CHEMBL472994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.49", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GANT-58"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2sc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147328", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147328, "molecule_chembl_id": "CHEMBL1435977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "cis-ACPD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1.N[C@]1(C(=O)O)CC[C@@H](C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151700", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151700, "molecule_chembl_id": "CHEMBL1179743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "654.74", "alogp": "6.60", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-161982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2sccc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151839, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Agomelatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148045", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148045, "molecule_chembl_id": "CHEMBL803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYTARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150460", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150460, "molecule_chembl_id": "CHEMBL1435541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc2[nH]ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148554", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148554, "molecule_chembl_id": "CHEMBL159776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pramiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145974", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENBUTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145974, "molecule_chembl_id": "CHEMBL1972268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.27", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MENBUTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CCC(=O)O)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152022", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE DECANOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152022, "molecule_chembl_id": "CHEMBL1200854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.78", "alogp": "8.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Fluphenazine decanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148281", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148281, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDARAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151765", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOVITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151765, "molecule_chembl_id": "CHEMBL522892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dovitinib (TKI-258; CHIR-258)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148705", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-202190", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148705, "molecule_chembl_id": "CHEMBL278041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 202190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIPONIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153635, "molecule_chembl_id": "CHEMBL2336071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "6.77", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Siponimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147917", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147917, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinnarizine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148042", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GONADORELIN ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148042, "molecule_chembl_id": "CHEMBL1200511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1242.36", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Gonadorelin (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MISONIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149868, "molecule_chembl_id": "CHEMBL42161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "misonidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(O)Cn1ccnc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153645", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPTOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153645, "molecule_chembl_id": "CHEMBL463763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIPTOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146867", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146867, "molecule_chembl_id": "CHEMBL1398213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.22", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-91488"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCCSC(=N)N.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147075", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147075, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SIMVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147079", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALACEPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147079, "molecule_chembl_id": "CHEMBL2103775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.50", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alacepril\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150298", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150298, "molecule_chembl_id": "CHEMBL1213082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC-87114"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153300", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153300, "molecule_chembl_id": "CHEMBL314612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD-53998"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)SC4C)ccc32)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152968", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMETASONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152968, "molecule_chembl_id": "CHEMBL1201404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mometasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150424", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTAGASTRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150424, "molecule_chembl_id": "CHEMBL1328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "767.91", "alogp": "1.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PENTAGASTRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154474", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154474, "molecule_chembl_id": "CHEMBL1403575", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMR000040087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154515", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154515, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-AZAGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146480", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146480, "molecule_chembl_id": "CHEMBL1933288", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.57", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 02565"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150511", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150511, "molecule_chembl_id": "CHEMBL930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Glutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145902", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145902, "molecule_chembl_id": "CHEMBL1583199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.40", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID 3712249"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151153", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151153, "molecule_chembl_id": "CHEMBL2180727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.57", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGI-5198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146399", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRAFINIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146399, "molecule_chembl_id": "CHEMBL93077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.36", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrafinil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959279", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959279, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "RIFAXIMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956786", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BECLOMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956786, "molecule_chembl_id": "CHEMBL1200500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BECLOMETHASONE DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962793", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962793, "molecule_chembl_id": "CHEMBL519240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.43", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-987306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-55.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148055", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINASTERIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148055, "molecule_chembl_id": "CHEMBL710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.55", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FINASTERIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148331", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148331, "molecule_chembl_id": "CHEMBL406375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GTP-14564"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152745", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALUBRINAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152745, "molecule_chembl_id": "CHEMBL180127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.82", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "salubrinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152847", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152847, "molecule_chembl_id": "CHEMBL482834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.40", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-784168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148080", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148080, "molecule_chembl_id": "CHEMBL3560504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.39", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxacyclohexadecan-2-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCCCCCCCCCCCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152383", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152383, "molecule_chembl_id": "CHEMBL541400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.33", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY 61-3606 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152983", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELVITEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152983, "molecule_chembl_id": "CHEMBL204656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.89", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELVITEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148479", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148479, "molecule_chembl_id": "CHEMBL1255655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.08", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DCEBIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148122", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148122, "molecule_chembl_id": "CHEMBL3798846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.60", "alogp": "3.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OICR-9429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152987", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152987, "molecule_chembl_id": "CHEMBL575948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.44", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-359447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148482", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW620972X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148482, "molecule_chembl_id": "CHEMBL233001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.43", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS JNK 5a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152628", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152628, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152997", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152997, "molecule_chembl_id": "CHEMBL264406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.40", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-naphthyl-PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152641", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152641, "molecule_chembl_id": "CHEMBL4303189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.51", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-4059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150031", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150031, "molecule_chembl_id": "CHEMBL4303655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.37", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APcK-110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(-c2ccc3c(-c4ccc(F)cc4)n[nH]c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150033", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORNITHINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150033, "molecule_chembl_id": "CHEMBL446143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ornithine phenylacetate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150337", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIPERIDEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150337, "molecule_chembl_id": "CHEMBL1201035", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.93", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Biperiden (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150338", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150338, "molecule_chembl_id": "CHEMBL771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DL-Cycloserine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CONC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148022", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148022, "molecule_chembl_id": "CHEMBL4303255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pikamilone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCNC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149230", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149230, "molecule_chembl_id": "CHEMBL1368511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2nc(C3=NCCN3)cnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153732", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1070916", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153732, "molecule_chembl_id": "CHEMBL1090479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.64", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK1070916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151647", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTENAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151647, "molecule_chembl_id": "CHEMBL1200397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.94", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Butenafine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152532", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152532, "molecule_chembl_id": "CHEMBL1620698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.21", "alogp": "-0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARNITINE (dl) HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148029", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148029, "molecule_chembl_id": "CHEMBL29097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.09", "alogp": "8.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147908", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147908, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHEXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149236", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149236, "molecule_chembl_id": "CHEMBL1335195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "821.14", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IOHEXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148432", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148432, "molecule_chembl_id": "CHEMBL2158347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.36", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151652, "molecule_chembl_id": "CHEMBL1852596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.35", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1ccccc1)c1c/c(=N/C)n(C)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147257", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147257, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITAZOXANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148642", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148642, "molecule_chembl_id": "CHEMBL330038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "-2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S)-5-Amino-2-(2-aminoacetamido)-5-oxopentanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153149", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINSITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153149, "molecule_chembl_id": "CHEMBL1091644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OSI-906 (Linsitinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153150", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153150, "molecule_chembl_id": "CHEMBL246957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KF-38789"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150279", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150279, "molecule_chembl_id": "CHEMBL4521451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.28", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "RIVANICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C.CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149350", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149350, "molecule_chembl_id": "CHEMBL347285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.11", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-aconitic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C(/CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150201", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150201, "molecule_chembl_id": "CHEMBL1580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOSTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150202", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD1981", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150202, "molecule_chembl_id": "CHEMBL1914489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.88", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD1981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154608", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154608, "molecule_chembl_id": "CHEMBL3781751", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150113", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150113, "molecule_chembl_id": "CHEMBL3352956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-pyrimidinecarbonitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145899", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145899, "molecule_chembl_id": "CHEMBL3086767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "santacruzamate A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NCCCC(=O)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150405", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150405, "molecule_chembl_id": "CHEMBL118109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C(\\C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147662", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147662, "molecule_chembl_id": "CHEMBL365442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.80", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NELFINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146402, "molecule_chembl_id": "CHEMBL359632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.19", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNJ-10397049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@H](c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150907", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150907, "molecule_chembl_id": "CHEMBL1077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromfenac\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151034", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151034, "molecule_chembl_id": "CHEMBL1235116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PhiKan-083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(CNC)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146531", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISEDRONATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146531, "molecule_chembl_id": "CHEMBL1654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.10", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISEDRONATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146532", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146532, "molecule_chembl_id": "CHEMBL296407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.19", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-99"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959411", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959411, "molecule_chembl_id": "CHEMBL4303624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.92", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Beclomethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961975", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961975, "molecule_chembl_id": "CHEMBL1254945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.03", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ELN-441958"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151707", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEXIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151707, "molecule_chembl_id": "CHEMBL17860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOFEXIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146981", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146981, "molecule_chembl_id": "CHEMBL1330764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.52", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-12935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151858", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATALUREN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151858, "molecule_chembl_id": "CHEMBL256997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.25", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PTC124 (Ataluren)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151491", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151491, "molecule_chembl_id": "CHEMBL611647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.81", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-CMTB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145972", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAXALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145972, "molecule_chembl_id": "CHEMBL1079604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metaxalone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148557", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148557, "molecule_chembl_id": "CHEMBL2269234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119579"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148163", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148163, "molecule_chembl_id": "CHEMBL288542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.24", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-14-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147367", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147367, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulindac\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148630", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANPIRTOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148630, "molecule_chembl_id": "CHEMBL1316374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.75", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anpirtoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(SC2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147771", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHADIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147771, "molecule_chembl_id": "CHEMBL1099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.11", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152287", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152287, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOLUTEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149509", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELESCLOMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149509, "molecule_chembl_id": "CHEMBL1972860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.53", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Elesclomol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149512", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149512, "molecule_chembl_id": "CHEMBL569766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.28", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "G-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149516", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTACAINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149516, "molecule_chembl_id": "CHEMBL3142544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "710.98", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTACAINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154025", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAZEDOXIFENE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154025, "molecule_chembl_id": "CHEMBL2106615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.67", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bazedoxifene HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154032", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GR-127935", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154032, "molecule_chembl_id": "CHEMBL15928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.60", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GR-127935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149532", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149532, "molecule_chembl_id": "CHEMBL4303158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "740.49", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "G-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2.Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARACHLOROPHENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149537, "molecule_chembl_id": "CHEMBL57053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.56", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARACHLOROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149544", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149544, "molecule_chembl_id": "CHEMBL13790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.66", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD047050"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=N)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154051", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DULOXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154051, "molecule_chembl_id": "CHEMBL1175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.42", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "duloxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149551", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149551, "molecule_chembl_id": "CHEMBL1340537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-626080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154055", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154055, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bosutinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149553", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149553, "molecule_chembl_id": "CHEMBL572879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154209", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154209, "molecule_chembl_id": "CHEMBL4101890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ6102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149707", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149707, "molecule_chembl_id": "CHEMBL566581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FITM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154210", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.99", "bao_label": "organism-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154210, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaguanine-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10340.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154211", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.96", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154211, "molecule_chembl_id": "CHEMBL2134545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.51", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAG-956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "110.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149718", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149718, "molecule_chembl_id": "CHEMBL1744069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.43", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959811", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAMIVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959811, "molecule_chembl_id": "CHEMBL141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMIVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962775", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962775, "molecule_chembl_id": "CHEMBL580421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT-948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963289", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963289, "molecule_chembl_id": "CHEMBL372797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.30", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UBP-302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)O)c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958617", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEPEFRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958617, "molecule_chembl_id": "CHEMBL2105064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gepefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963281", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963281, "molecule_chembl_id": "CHEMBL1703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.63", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METFORMIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)N=C(N)N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958041", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958041, "molecule_chembl_id": "CHEMBL344314", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.31", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-9 DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNS(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147696", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147696, "molecule_chembl_id": "CHEMBL1513845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-carboxy-4-hydroxyphenylglycine-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147699", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITHIAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147699, "molecule_chembl_id": "CHEMBL1872946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.18", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITHIAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147574", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147574, "molecule_chembl_id": "CHEMBL4303239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.08", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NS-5806"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Br)cc(Br)cc1-c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147215", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFOGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147215, "molecule_chembl_id": "CHEMBL2110731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.44", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tofogliflozin (hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146059", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146059, "molecule_chembl_id": "CHEMBL103772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NGD-94-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147366", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147366, "molecule_chembl_id": "CHEMBL1412853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151435", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151435, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TRETAZICAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154082", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154082, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151518", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAZOXIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151518, "molecule_chembl_id": "CHEMBL181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.68", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIAZOXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NS(=O)(=O)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153693", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-547", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153693, "molecule_chembl_id": "CHEMBL384304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149087", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXAMETHASONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149087, "molecule_chembl_id": "CHEMBL2021430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.41", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXAMETHASONE SODIUM PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153590", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153590, "molecule_chembl_id": "CHEMBL3603847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153779", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISACODYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153779, "molecule_chembl_id": "CHEMBL942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BISACODYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964054", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964054, "molecule_chembl_id": "CHEMBL1336727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thiothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.866", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964056", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964056, "molecule_chembl_id": "CHEMBL3633556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.35", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ferrostatin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960067", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FANANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960067, "molecule_chembl_id": "CHEMBL83894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.53", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fananserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964345", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964345, "molecule_chembl_id": "CHEMBL488755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAS-103 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964347", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964347, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956177", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956177, "molecule_chembl_id": "CHEMBL560895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.49", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNX-2112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964424", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964424, "molecule_chembl_id": "CHEMBL488755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAS-103 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955857", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955857, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960634", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFTIOFUR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960634, "molecule_chembl_id": "CHEMBL2106486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.04", "alogp": "0.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFTIOFUR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "62.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960036", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LICOFELONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960036, "molecule_chembl_id": "CHEMBL300982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Licofelone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960037", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960037, "molecule_chembl_id": "CHEMBL494325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.13", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMER-28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1ncnc2ccc(Br)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960042", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GAMBOGIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960042, "molecule_chembl_id": "CHEMBL555017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "628.76", "alogp": "7.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Gambogic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960044", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMATROBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960044, "molecule_chembl_id": "CHEMBL361812", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ramatroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960045", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOPROPERAZINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960045, "molecule_chembl_id": "CHEMBL1481539", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "638.86", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioproperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960763", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARSANILIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960763, "molecule_chembl_id": "CHEMBL351769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ARSANILIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955990", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "E968", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955990, "molecule_chembl_id": "CHEMBL349605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "-2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erythritol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955993", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALNOCTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955993, "molecule_chembl_id": "CHEMBL1075733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Valnoctamide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(CC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955998", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955998, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956465", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORTETRACYCLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956465, "molecule_chembl_id": "CHEMBL404520", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.89", "alogp": "0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHLORTETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152283", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRISEOFULVIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152283, "molecule_chembl_id": "CHEMBL562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.77", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GRISEOFULVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151433", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOPROLOL TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151433, "molecule_chembl_id": "CHEMBL2062335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "684.82", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOPROLOL TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151434", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYL AMINOSALICYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151434, "molecule_chembl_id": "CHEMBL1200868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYL AMINOSALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Oc2ccccc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154452", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154452, "molecule_chembl_id": "CHEMBL45827", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "532.52", "alogp": "6.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-161570"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12680.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153921", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153921, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153937", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UPROSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153937, "molecule_chembl_id": "CHEMBL3137336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.25", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Uprosertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149436", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOCORTOLONE PIVALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149436, "molecule_chembl_id": "CHEMBL1200975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clocortolone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149439", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149439, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Adavosertib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153944", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153944, "molecule_chembl_id": "CHEMBL1231795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.74", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154099", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZALKONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154099, "molecule_chembl_id": "CHEMBL502109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.02", "alogp": "6.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZALKONIUM CHLORIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149447", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBELINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149447, "molecule_chembl_id": "CHEMBL1257005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.92", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lobeline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149078, "molecule_chembl_id": "CHEMBL42336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149264", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149264, "molecule_chembl_id": "CHEMBL2360601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eperisone HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961302", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITHYLDIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961302, "molecule_chembl_id": "CHEMBL1722501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHYLDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)C=CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956642", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956642, "molecule_chembl_id": "CHEMBL3665060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.47", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKC-3946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154060, "molecule_chembl_id": "CHEMBL4555760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "744.91", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SEMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NNC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154061", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THONZONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154061, "molecule_chembl_id": "CHEMBL1200883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.72", "alogp": "8.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "thonzonium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154065", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154065, "molecule_chembl_id": "CHEMBL2017620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.44", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK2-IN-1 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149926", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANABECESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149926, "molecule_chembl_id": "CHEMBL3989948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.54", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lanabecestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](OC)CC2)C3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149846, "molecule_chembl_id": "CHEMBL2324347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1734"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147712", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147712, "molecule_chembl_id": "CHEMBL4303204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.39", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-[8-(3-Fluorophenyl)-1;7-naphthyridin-6-yl]cyclohexanecarboxylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152349", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152349, "molecule_chembl_id": "CHEMBL494325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.13", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMER-28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1ncnc2ccc(Br)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLOXATONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147846, "molecule_chembl_id": "CHEMBL18116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toloxatone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152255", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152255, "molecule_chembl_id": "CHEMBL1201139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEGESTROL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147750", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELACRIDAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147750, "molecule_chembl_id": "CHEMBL396298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "5.56", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Elacridar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147762", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANOPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147762, "molecule_chembl_id": "CHEMBL258734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "731.84", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Danoprevir (ITMN-191)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152958", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152958, "molecule_chembl_id": "CHEMBL306380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152268", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152268, "molecule_chembl_id": "CHEMBL2146753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.31", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc2nc(COCc3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152270", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152270, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BREXPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154200", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.06", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154200, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8770.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149700", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALIFOSFAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149700, "molecule_chembl_id": "CHEMBL889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.02", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Palifosfamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(NCCCl)NCCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147582", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APR-246", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147582, "molecule_chembl_id": "CHEMBL3186011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.25", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APR-246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1(CO)C(=O)C2CCN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152088", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYZINE PAMOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152088, "molecule_chembl_id": "CHEMBL1200467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "763.29", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYZINE PAMOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148153", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUS-131", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148153, "molecule_chembl_id": "CHEMBL198877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Equol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147594", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147594, "molecule_chembl_id": "CHEMBL186526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM 336372"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148226", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148226, "molecule_chembl_id": "CHEMBL1610810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312539"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc3ncccc3o2)ccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148312", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148312, "molecule_chembl_id": "CHEMBL1996382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.22", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCOS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152736", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAPRINAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152736, "molecule_chembl_id": "CHEMBL28079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.28", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAPRINAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152682", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152682, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VERAPAMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152832", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152832, "molecule_chembl_id": "CHEMBL2181226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.49", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-G-1005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152684", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIVACURIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152684, "molecule_chembl_id": "CHEMBL984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1100.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Mivacurium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154006", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGM-097", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154006, "molecule_chembl_id": "CHEMBL3601398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "659.27", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "NVP-CGM097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152691", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152691, "molecule_chembl_id": "CHEMBL2426364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.73", "alogp": "4.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149957", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBARIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149957, "molecule_chembl_id": "CHEMBL46917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "carbaryl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153947", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153947, "molecule_chembl_id": "CHEMBL469045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.50", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(E/Z)-ISTAROXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150139", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150139, "molecule_chembl_id": "CHEMBL4303165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.08", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-FP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ncc(F)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154529", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154529, "molecule_chembl_id": "CHEMBL2134545", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "427.51", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAG-956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149457", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149457, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORICONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150261", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150261, "molecule_chembl_id": "CHEMBL1093534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHP-501 trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150265", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENPROFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150265, "molecule_chembl_id": "CHEMBL279898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-n-Propylxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c(=O)c2[nH]cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154182", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154182, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Homoharringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960049", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBANDRONATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960049, "molecule_chembl_id": "CHEMBL3989569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.23", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IBANDRONATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964494", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SKF-38393", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964494, "molecule_chembl_id": "CHEMBL286080", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964496", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964496, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960106", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELBASVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960106, "molecule_chembl_id": "CHEMBL3039514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "882.03", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Elbasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-33.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960109", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960109, "molecule_chembl_id": "CHEMBL63154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.62", "alogp": "7.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FGIN-1-27"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.822", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955606", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIOCIGUAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955606, "molecule_chembl_id": "CHEMBL2107834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riociguat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960122", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N-DESMETHYLCLOZAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960122, "molecule_chembl_id": "CHEMBL845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.80", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "desmethylclozapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955735", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAIDZEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955735, "molecule_chembl_id": "CHEMBL8145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "4',7-Dihydroxyisoflavanone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960155", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DILOXANIDE FUROATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960155, "molecule_chembl_id": "CHEMBL1334860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.15", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DILOXANIDE FUROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960156", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOTHIAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960156, "molecule_chembl_id": "CHEMBL304902", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.88", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clothiapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955630", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMECAMTIV MECARBIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955630, "molecule_chembl_id": "CHEMBL1800955", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omecamtiv mecarbil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959221", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959221, "molecule_chembl_id": "CHEMBL3182051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.09", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD318088"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC(O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALINOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955635, "molecule_chembl_id": "CHEMBL152067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.50", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Talinolol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959222", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959222, "molecule_chembl_id": "CHEMBL515679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bicuculline-methochloride-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959715", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959715, "molecule_chembl_id": "CHEMBL863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "121.16", "alogp": "-0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955744", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDROXYPROGESTERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955744, "molecule_chembl_id": "CHEMBL717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Depomedroxyprogesterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955986", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARBOFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955986, "molecule_chembl_id": "CHEMBL478120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Marbofloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959981", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FRENTIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959981, "molecule_chembl_id": "CHEMBL128988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Frentizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960276", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARSALAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960276, "molecule_chembl_id": "CHEMBL1720051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.13", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARSALAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6903", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964475", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964475, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959448", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFUROXIME SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959448, "molecule_chembl_id": "CHEMBL2146124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFUROXIME SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964059", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NETUPITANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964059, "molecule_chembl_id": "CHEMBL206253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "578.60", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Netupitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959899", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959899, "molecule_chembl_id": "CHEMBL1397913", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.89", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964513", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964513, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963862", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXPROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963862, "molecule_chembl_id": "CHEMBL1358662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propranolol-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.563", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960955", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960955, "molecule_chembl_id": "CHEMBL434045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chromanol-293B-(-)-[3R;4S]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959818", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959818, "molecule_chembl_id": "CHEMBL337173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.76", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-663284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955999", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVANICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955999, "molecule_chembl_id": "CHEMBL132966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metanicotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-60.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960104", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960104, "molecule_chembl_id": "CHEMBL2359260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.00", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "loreclezole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl/C(=C\\n1cncn1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANTHRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960123, "molecule_chembl_id": "CHEMBL53418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DANTHRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960829", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVOCERANIB MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960829, "molecule_chembl_id": "CHEMBL3545414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Apatinib mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.935", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955610", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955610, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Amuvatinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960841", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960841, "molecule_chembl_id": "CHEMBL1773685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.39", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ezutromid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-94.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960842", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960842, "molecule_chembl_id": "CHEMBL174588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-16259685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147676", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147676, "molecule_chembl_id": "CHEMBL1886787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.67", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Fosinopril sodium (Monopril)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147687", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147687, "molecule_chembl_id": "CHEMBL223482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.24", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSI-6130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152213", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152213, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-Thiaproline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154188", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELIRAGON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154188, "molecule_chembl_id": "CHEMBL3989929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.13", "alogp": "8.44", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "azeliragon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152263", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELTA-TOCOTRIENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152263, "molecule_chembl_id": "CHEMBL121305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.62", "alogp": "7.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "delta-Tocotrienol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148450", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROSTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148450, "molecule_chembl_id": "CHEMBL548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DINOPROSTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149695", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149695, "molecule_chembl_id": "CHEMBL1400008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.79", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-115431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152271", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEBUFENOZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152271, "molecule_chembl_id": "CHEMBL226968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.48", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEBUFENOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153706", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACOMITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153706, "molecule_chembl_id": "CHEMBL2110732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dacomitinib (PF299804; PF-00299804)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150186", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150186, "molecule_chembl_id": "CHEMBL1201130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.61", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(=O)O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150188", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150188, "molecule_chembl_id": "CHEMBL2005186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.52", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KD025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149095", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149095, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OXYCLOZANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153794", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153794, "molecule_chembl_id": "CHEMBL1947204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.89", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153918", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBINAFINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153918, "molecule_chembl_id": "CHEMBL822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Terbinafine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154363", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154363, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149416", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149416, "molecule_chembl_id": "CHEMBL4303366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C(C)OC)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955900", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955900, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Befol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960324", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960324, "molecule_chembl_id": "CHEMBL3188657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.64", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0812 (Succinate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955803", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIHEPTANOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955803, "molecule_chembl_id": "CHEMBL4297585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Glycerol triheptanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956053", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIMEPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956053, "molecule_chembl_id": "CHEMBL501849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Simeprevir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-47.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960828", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960828, "molecule_chembl_id": "CHEMBL4303358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1007.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Oxytocin (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.039", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960031", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960031, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960140", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHACIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960140, "molecule_chembl_id": "CHEMBL1997663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.54", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ethacizin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961082", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961082, "molecule_chembl_id": "CHEMBL3182327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.064", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961309", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961309, "molecule_chembl_id": "CHEMBL586058", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.24", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-10417808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.346", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)[nH]c(Nc3ccc(Cl)c(Cl)c3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959428", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959428, "molecule_chembl_id": "CHEMBL320193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoquinoline;-6;7-dimethoxy-1-methyl-1;2;3;4-tetrahydro;"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.024", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(C)NCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964321", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964321, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964322", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.44", "bao_label": "assay format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964322, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3600.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959721", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROVIRDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959721, "molecule_chembl_id": "CHEMBL39999", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.25", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trovirdine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCCc1ccccn1)Nc1ccc(Br)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958694", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958694, "molecule_chembl_id": "CHEMBL378081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXAMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959799", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIBOSEROD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959799, "molecule_chembl_id": "CHEMBL356359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Piboserod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959548", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "R-NADOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959548, "molecule_chembl_id": "CHEMBL400326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nadolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963161", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963161, "molecule_chembl_id": "CHEMBL105462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "873.03", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "U-75799E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960179", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960179, "molecule_chembl_id": "CHEMBL115097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.60", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PA-452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1cc2c(cc1N(C)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956984", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956984, "molecule_chembl_id": "CHEMBL4225088", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.62", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2981278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957063", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAPACHONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957063, "molecule_chembl_id": "CHEMBL15192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BETA-LAPACHONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960479", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960479, "molecule_chembl_id": "CHEMBL285063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.22", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD168393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956404", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956404, "molecule_chembl_id": "CHEMBL4303214", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fruquintinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956412", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956412, "molecule_chembl_id": "CHEMBL4082756", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.36", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2nc(Cc3cc(F)cc(C(F)(F)F)c3)nc2C)ccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959268", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959268, "molecule_chembl_id": "CHEMBL3752060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NLG919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964016", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964016, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.415", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958395", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RO-201724", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958395, "molecule_chembl_id": "CHEMBL18701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 20-1724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(CC2CNC(=O)N2)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154348", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WIN-552122", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154348, "molecule_chembl_id": "CHEMBL188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.52", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WIN 55,212-2 (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148798", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOLAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148798, "molecule_chembl_id": "CHEMBL878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOLAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961333", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961333, "molecule_chembl_id": "CHEMBL2356692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.27", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nolatrexed Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7458", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955601", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955601, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-methoxyestradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149352, "molecule_chembl_id": "CHEMBL1397069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "iopromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961224", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-517", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961224, "molecule_chembl_id": "CHEMBL229430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AMG-517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.966", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153858", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153858, "molecule_chembl_id": "CHEMBL1765602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.41", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "torin 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154251", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.77", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154251, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16980.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153625", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153625, "molecule_chembl_id": "CHEMBL252124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.81", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-50589"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959731", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-191095", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959731, "molecule_chembl_id": "CHEMBL11594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.89", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-191095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961795", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961795, "molecule_chembl_id": "CHEMBL1788135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.49", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959098", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959098, "molecule_chembl_id": "CHEMBL1201041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.48", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZLOCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.179", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957204", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957204, "molecule_chembl_id": "CHEMBL239767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.14", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB225002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962241", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962241, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vemurafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957226", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOBETIROME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957226, "molecule_chembl_id": "CHEMBL107400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SOBETIROME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961824", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961824, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirabegron (YM178)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957651", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957651, "molecule_chembl_id": "CHEMBL3672369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.52", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTS964"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957548", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957548, "molecule_chembl_id": "CHEMBL261454", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-364947"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962308", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEGACESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962308, "molecule_chembl_id": "CHEMBL463981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.74", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "begacestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959209", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959209, "molecule_chembl_id": "CHEMBL2180727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.57", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGI-5198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.294", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963815", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963815, "molecule_chembl_id": "CHEMBL232656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.90", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959213", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959213, "molecule_chembl_id": "CHEMBL2180273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.53", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ITD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964070", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964070, "molecule_chembl_id": "CHEMBL2159498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.32", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P22077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959369", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959369, "molecule_chembl_id": "CHEMBL263730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1101.28", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Echinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959372", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959372, "molecule_chembl_id": "CHEMBL4303180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.18", "alogp": "-3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Pinitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.304", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963980", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963980, "molecule_chembl_id": "CHEMBL3338865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-3697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958554", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXYFENOZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958554, "molecule_chembl_id": "CHEMBL55772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHOXYFENOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963158", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963158, "molecule_chembl_id": "CHEMBL3775982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.31", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AY-9944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959116", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIVACURIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959116, "molecule_chembl_id": "CHEMBL984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1100.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Mivacurium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959607", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959607, "molecule_chembl_id": "CHEMBL1398683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.45", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ciglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152143", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152143, "molecule_chembl_id": "CHEMBL3218011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.38", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RKI-1447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147057", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147057, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BARICITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147208", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147208, "molecule_chembl_id": "CHEMBL1689369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TTP-22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147727", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147727, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152874", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152874, "molecule_chembl_id": "CHEMBL3182647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.51", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBRUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147434", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147434, "molecule_chembl_id": "CHEMBL1528069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2nc(C)cc2C)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963783", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963783, "molecule_chembl_id": "CHEMBL1321988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRS 2578"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.893", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963787", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963787, "molecule_chembl_id": "CHEMBL2359059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.95", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propiverine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147036", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147036, "molecule_chembl_id": "CHEMBL343545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.54", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE HEMISUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147396", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147396, "molecule_chembl_id": "CHEMBL15060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-phenylmelatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958483", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958483, "molecule_chembl_id": "CHEMBL138297", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.31", "alogp": "-2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Colestid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958356", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOPAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958356, "molecule_chembl_id": "CHEMBL59", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.18", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOPAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147618", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAPRILAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147618, "molecule_chembl_id": "CHEMBL1733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.47", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINAPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957991", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EGLUMETAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957991, "molecule_chembl_id": "CHEMBL8759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY354740"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147620", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147620, "molecule_chembl_id": "CHEMBL1200950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.36", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIDINIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962597", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLTRAZURIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962597, "molecule_chembl_id": "CHEMBL2104931", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.39", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLTRAZURIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.103", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964375", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-MERCAPTOBENZOTHIAZOLE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964375, "molecule_chembl_id": "CHEMBL111654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.26", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzo[d]thiazole-2(3H)-thione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Sc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957389", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MACITENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957389, "molecule_chembl_id": "CHEMBL2103873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.28", "alogp": "3.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MACITENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957722", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALAZOPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957722, "molecule_chembl_id": "CHEMBL3137320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.36", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TALAZOPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957725", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957725, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALDECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957727", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-406", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957727, "molecule_chembl_id": "CHEMBL2158051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.73", "alogp": "2.62", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AT-406"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959340", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLOXATONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959340, "molecule_chembl_id": "CHEMBL18116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "toloxatone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146781", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146781, "molecule_chembl_id": "CHEMBL97424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-128907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152453", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACUBITRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152453, "molecule_chembl_id": "CHEMBL3137301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.50", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sacubitril hemicalcium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152464", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152464, "molecule_chembl_id": "CHEMBL3182208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.56", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trap-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961895", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961895, "molecule_chembl_id": "CHEMBL1358485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.96", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIBU-1361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.187", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957218", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN AG-1478", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957218, "molecule_chembl_id": "CHEMBL7917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.76", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961817", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961817, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.001", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957647", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957647, "molecule_chembl_id": "CHEMBL304858", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.38", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ro 48-8071"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957546", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957546, "molecule_chembl_id": "CHEMBL2333770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "6.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146953", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146953, "molecule_chembl_id": "CHEMBL465952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.16", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alda-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASQUINIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151352, "molecule_chembl_id": "CHEMBL2107784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASQUINIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147851", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMOTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147851, "molecule_chembl_id": "CHEMBL1256786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FORMOTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957468", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABIRATERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957468, "molecule_chembl_id": "CHEMBL271227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ABIRATERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147987", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147987, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lansoprazole\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962068", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INOSITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962068, "molecule_chembl_id": "CHEMBL1222251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "INOSITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962635, "molecule_chembl_id": "CHEMBL214957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.01", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-803430"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963474", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963474, "molecule_chembl_id": "CHEMBL2164243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.17", "alogp": "-0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "daminozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961588", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INFIGRATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961588, "molecule_chembl_id": "CHEMBL1852688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.49", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "BGJ398"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964152", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964152, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM002554903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964221", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.30", "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964221, "molecule_chembl_id": "CHEMBL1356238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "127.17", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1ccccc1S", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959422", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUTILIDE FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959422, "molecule_chembl_id": "CHEMBL2355456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "885.24", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibutilide fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1335", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959719", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959719, "molecule_chembl_id": "CHEMBL191422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Tyrosylglycylglycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964352", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANITIOLIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964352, "molecule_chembl_id": "CHEMBL1380480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANITIOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963372", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963372, "molecule_chembl_id": "CHEMBL4303581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Gastrodin (Gastrodine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.354", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958358", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958358, "molecule_chembl_id": "CHEMBL3883608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.37", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963517", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963517, "molecule_chembl_id": "CHEMBL2017214", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.56", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHK-IN-1 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956338", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956338, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oseltamivir_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961231", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961231, "molecule_chembl_id": "CHEMBL4303516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.45", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imidapril HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961234", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHICILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961234, "molecule_chembl_id": "CHEMBL3181832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.42", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHICILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962844", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOXIQUINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962844, "molecule_chembl_id": "CHEMBL1170610", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOXIQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cccc2cccnc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958638", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANISOTROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958638, "molecule_chembl_id": "CHEMBL1578", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.35", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "anisotropine methylbromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.364", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961245", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA CAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961245, "molecule_chembl_id": "CHEMBL1293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "536.89", "alogp": "12.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Provitamin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956469", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLUTAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956469, "molecule_chembl_id": "CHEMBL575060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-glutamic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957378", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957378, "molecule_chembl_id": "CHEMBL1230541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "579.70", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGI1746"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957835", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZETIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957835, "molecule_chembl_id": "CHEMBL10272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levetimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962442", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962442, "molecule_chembl_id": "CHEMBL9843", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-218795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961864", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961864, "molecule_chembl_id": "CHEMBL53753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.19", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-158780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962203", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPIPERONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962203, "molecule_chembl_id": "CHEMBL1256875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.94", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959321", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959321, "molecule_chembl_id": "CHEMBL4303701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.71", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS-72664"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964292", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "8.00", "bao_label": "assay format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964292, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147952", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147952, "molecule_chembl_id": "CHEMBL98572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.52", "alogp": "8.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FGIN-1-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151325", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RELEBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151325, "molecule_chembl_id": "CHEMBL3112741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Relebactam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961911", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY404039", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961911, "molecule_chembl_id": "CHEMBL375611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.22", "alogp": "-2.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2140023 (LY404039)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957636", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASQUINIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957636, "molecule_chembl_id": "CHEMBL2107784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASQUINIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152469", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152469, "molecule_chembl_id": "CHEMBL4303272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.69", "alogp": "7.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NDT-9513727"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUROFAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146839, "molecule_chembl_id": "CHEMBL144620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.14", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flurofamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NP(N)(=O)NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963643", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963643, "molecule_chembl_id": "CHEMBL118109", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C(\\C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957189", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATENOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957189, "molecule_chembl_id": "CHEMBL24", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESATENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961790", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACEDOBEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961790, "molecule_chembl_id": "CHEMBL112687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEDOBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147635, "molecule_chembl_id": "CHEMBL3916849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.36", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX-912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147440", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147440, "molecule_chembl_id": "CHEMBL499968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147617", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMCICLOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147617, "molecule_chembl_id": "CHEMBL880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMCICLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METARAMINOL BITARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152123, "molecule_chembl_id": "CHEMBL2062262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.29", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METARAMINOL BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147035", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTISONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147035, "molecule_chembl_id": "CHEMBL1650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORPRENALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151559, "molecule_chembl_id": "CHEMBL2106149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.17", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clorprenaline HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963629", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THALICARPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963629, "molecule_chembl_id": "CHEMBL507100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "696.84", "alogp": "7.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thaliblastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.917", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152129", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HKI-357", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152129, "molecule_chembl_id": "CHEMBL178654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.06", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "HKI-357"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959027", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERTAPENEM SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959027, "molecule_chembl_id": "CHEMBL1232", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.51", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ertapenem sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.091", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959682", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABIRATERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959682, "molecule_chembl_id": "CHEMBL254328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.52", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abiraterone (CB-7598)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151341", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEVELAMER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151341, "molecule_chembl_id": "CHEMBL1201798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.62", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Sevelamer HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN.ClCC1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147996", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147996, "molecule_chembl_id": "CHEMBL57997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.80", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963205", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963205, "molecule_chembl_id": "CHEMBL4089840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UPF-1069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957646", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957646, "molecule_chembl_id": "CHEMBL258405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.30", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "icilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957227", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957227, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957229", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957229, "molecule_chembl_id": "CHEMBL1077990", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTS01037"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962246", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-182874", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962246, "molecule_chembl_id": "CHEMBL267458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-182874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.967", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962146", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962146, "molecule_chembl_id": "CHEMBL1199540", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.69", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Halofuginone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.232", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151237", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151237, "molecule_chembl_id": "CHEMBL3133807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.45", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bromosporine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147977", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147977, "molecule_chembl_id": "CHEMBL254328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.52", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ABIRATERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146846, "molecule_chembl_id": "CHEMBL330038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "-2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S)-5-Amino-2-(2-aminoacetamido)-5-oxopentanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962067", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOFEGILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962067, "molecule_chembl_id": "CHEMBL2106694", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.69", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mofegiline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC/C(=C/F)CCc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152167", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOTAMINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152167, "molecule_chembl_id": "CHEMBL1200517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.80", "alogp": "2.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "dihydroergotamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152243", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152243, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Amuvatinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147668", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147668, "molecule_chembl_id": "CHEMBL442218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.16", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAM001247016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148103", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148103, "molecule_chembl_id": "CHEMBL4303231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.26", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH-170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148106", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148106, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "18beta-Glycyrrhetinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147621", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147621, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EFAVIRENZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151391", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOSTIGMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151391, "molecule_chembl_id": "CHEMBL278020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.30", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Neostigmine (methyl sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963744", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY2452473", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963744, "molecule_chembl_id": "CHEMBL3542265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.44", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2452473"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8215", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957506", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957506, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALLOPREGNANOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962782", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZOSEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962782, "molecule_chembl_id": "CHEMBL1097235", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.85", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azosemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.865", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964387", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964387, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963646", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPTAPIRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963646, "molecule_chembl_id": "CHEMBL2104230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.41", "alogp": "-0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eptapirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.437", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cnn(CCCCN2CCN(c3ncccn3)CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151842", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151842, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nepafenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148066", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148066, "molecule_chembl_id": "CHEMBL149518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.63", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JLK-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1oc(=O)c2cc(N)ccc2c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147340", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147340, "molecule_chembl_id": "CHEMBL3192687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.39", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-083010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152379", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152379, "molecule_chembl_id": "CHEMBL471225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.49", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC117079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(N)(=O)=O)c2)c2c1C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148250", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148250, "molecule_chembl_id": "CHEMBL151284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.21", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086177"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148254", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148254, "molecule_chembl_id": "CHEMBL826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.32", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147890", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-CITRULLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147890, "molecule_chembl_id": "CHEMBL444814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.19", "alogp": "-1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Citrulline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152762", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYANIDIN B1", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152762, "molecule_chembl_id": "CHEMBL504937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.53", "alogp": "3.00", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Procyanidin B2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148147", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBINAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148147, "molecule_chembl_id": "CHEMBL1200832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.90", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBINAFINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154490", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIMETREXATE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154490, "molecule_chembl_id": "CHEMBL119", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1990.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961918", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TMC-647055", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961918, "molecule_chembl_id": "CHEMBL2043025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "606.75", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TMC647055 (Choline salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963748", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963748, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG 487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963755", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963755, "molecule_chembl_id": "CHEMBL2203422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.49", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCX 1470 (methanesulfonate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N=C(N)c1cc2ccc(OC(=O)c3cccs3)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958381", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCATEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958381, "molecule_chembl_id": "CHEMBL160519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.36", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PROCATEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959032", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959032, "molecule_chembl_id": "CHEMBL190266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ibuproxam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961068", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04620110", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961068, "molecule_chembl_id": "CHEMBL1835919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04620110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956298", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956298, "molecule_chembl_id": "CHEMBL365617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.82", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-49009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963199", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963199, "molecule_chembl_id": "CHEMBL1615281", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.32", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959258", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959258, "molecule_chembl_id": "CHEMBL4303310", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5;7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-2H-chromene-3;4-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959125", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIPROFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959125, "molecule_chembl_id": "CHEMBL557555", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.16", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciprofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145679", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IROSUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145679, "molecule_chembl_id": "CHEMBL286738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IROSUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963110", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963110, "molecule_chembl_id": "CHEMBL543846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.62", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyridoxal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(C=O)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963210", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2090314", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963210, "molecule_chembl_id": "CHEMBL362558", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.55", "alogp": "3.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LY2090314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963283", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963283, "molecule_chembl_id": "CHEMBL4303146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "xilobam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)N=C1CCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958612", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958612, "molecule_chembl_id": "CHEMBL1723412", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piricapiron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962922", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARBOFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962922, "molecule_chembl_id": "CHEMBL478120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MARBOFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958643", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958643, "molecule_chembl_id": "CHEMBL4303176", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.73", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOKU-81"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963627", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALTOBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963627, "molecule_chembl_id": "CHEMBL182319", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.66", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taltobulin (trifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963628", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISATORIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963628, "molecule_chembl_id": "CHEMBL2105116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.30", "alogp": "-2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Amino-3-D-ribofuranosylthiazolo[4;5-d]pyrimidin-2;7(3H;6H)-dione; 7-Thia-8-oxoguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METAPROTERENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958650, "molecule_chembl_id": "CHEMBL776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METAPROTERENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154256", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMIDIUM", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154256, "molecule_chembl_id": "CHEMBL48166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963707", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963707, "molecule_chembl_id": "CHEMBL1255655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.08", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DCEBIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154340", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSPODAR", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154340, "molecule_chembl_id": "CHEMBL1086218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1214.65", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Valspodar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149842", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149842, "molecule_chembl_id": "CHEMBL1364551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINAPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956440", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956440, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYCHLOROQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153668", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SR9011", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153668, "molecule_chembl_id": "CHEMBL1961797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.05", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR9011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153727", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153727, "molecule_chembl_id": "CHEMBL939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1; Iressa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959728, "molecule_chembl_id": "CHEMBL3392223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIC10 analogue"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.528", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1CN1CC2=C(CCN(Cc3ccccc3)C2=O)N2CCN=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147020", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147020, "molecule_chembl_id": "CHEMBL4303309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.63", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CX-5461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961266", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALMITALDEHYDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961266, "molecule_chembl_id": "CHEMBL1235338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.43", "alogp": "5.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1-hexadecanal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956505", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-285", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956505, "molecule_chembl_id": "CHEMBL1614725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.97", "alogp": "5.92", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "TAK-285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961621", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETAZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961621, "molecule_chembl_id": "CHEMBL20", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.25", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETAZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961596", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAVORIXAFOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961596, "molecule_chembl_id": "CHEMBL518924", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mavorixafor (trihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.939", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964189", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964189, "molecule_chembl_id": "CHEMBL4303713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "764.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Miriplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964194", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964194, "molecule_chembl_id": "CHEMBL3990276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Talc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.468", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964195", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LASOFOXIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964195, "molecule_chembl_id": "CHEMBL328190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.56", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lasofoxifene (Tartrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959591", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959591, "molecule_chembl_id": "CHEMBL4303285", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.30", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Picrotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.948", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)[C@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963812", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINAZOLINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963812, "molecule_chembl_id": "CHEMBL266540", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HQN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960312", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960312, "molecule_chembl_id": "CHEMBL1618199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.52", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IEM1460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956227", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956227, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960796", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960796, "molecule_chembl_id": "CHEMBL1200841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.78", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960689", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960689, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963606", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASUNAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963606, "molecule_chembl_id": "CHEMBL2105735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "748.30", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Asunaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955659", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955659, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLSTILBESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958809", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TUAMINOHEPTANE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958809, "molecule_chembl_id": "CHEMBL3560769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.52", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUAMINOHEPTANE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(C)N.CCCCCC(C)N.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963608", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963608, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torkinib (PP242)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.969", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959007", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959007, "molecule_chembl_id": "CHEMBL4303281", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU14R"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ncc[nH]2)Cc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958416", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958416, "molecule_chembl_id": "CHEMBL362148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "102.16", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Aminothiazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963018", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERABELISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963018, "molecule_chembl_id": "CHEMBL3935857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.38", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Serabelisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSPHENYTOIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962123, "molecule_chembl_id": "CHEMBL919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.24", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fosphenytoin disodium salt hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958419", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958419, "molecule_chembl_id": "CHEMBL285527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.35", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,8-ANS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-34.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957531", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERUBECESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957531, "molecule_chembl_id": "CHEMBL3301601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VERUBECESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958982", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958982, "molecule_chembl_id": "CHEMBL3648328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD6738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962133, "molecule_chembl_id": "CHEMBL180966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALX-5407"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959717", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959717, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brexpiprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959230", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959230, "molecule_chembl_id": "CHEMBL3039369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "769.97", "alogp": "6.07", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SELAMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957537, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPTOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957543", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATOMOXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957543, "molecule_chembl_id": "CHEMBL641", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "atomoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDROERGOCRISTINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964060, "molecule_chembl_id": "CHEMBL1255837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "707.85", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "dihydroergocristine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958528", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958528, "molecule_chembl_id": "CHEMBL286471", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.37", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-270237"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958904", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACEBUTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958904, "molecule_chembl_id": "CHEMBL1200813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.89", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACEBUTOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958946", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENINDAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958946, "molecule_chembl_id": "CHEMBL278398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenindamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959088", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959088, "molecule_chembl_id": "CHEMBL2105615", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.92", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "QUINACRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.643", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959265", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCOPOLAMINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959265, "molecule_chembl_id": "CHEMBL2251240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.32", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SCOPOLAMINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962747", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFUROXAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962747, "molecule_chembl_id": "CHEMBL244888", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFUROXAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958149", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958149, "molecule_chembl_id": "CHEMBL355001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "96.11", "alogp": "-1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958959", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-SUPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958959, "molecule_chembl_id": "CHEMBL253765", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suprofen (Profenal)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.719", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958160, "molecule_chembl_id": "CHEMBL511565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riboflavin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958961", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFPODOXIME PROXETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958961, "molecule_chembl_id": "CHEMBL1201016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.61", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefpodoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958611", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958611, "molecule_chembl_id": "CHEMBL4303551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Bismuth Subcitrate Potassium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.788", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962918", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBAMAZEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962918, "molecule_chembl_id": "CHEMBL108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBAMAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958199", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958199, "molecule_chembl_id": "CHEMBL1580632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-276779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959092", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTIBUFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959092, "molecule_chembl_id": "CHEMBL454450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.31", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "butibufen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)O)c1ccc(CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959071", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-INDOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959071, "molecule_chembl_id": "CHEMBL264931", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959680", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRAMUSTINE PHOSPHATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959680, "molecule_chembl_id": "CHEMBL1200721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.35", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Estramustine Phosphate\u00e1Na"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959510", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959510, "molecule_chembl_id": "CHEMBL1234616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "665.45", "alogp": "-2.69", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "coenzyme-i"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1=CN([C@@H]2O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959665", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "R-KETOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959665, "molecule_chembl_id": "CHEMBL372052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KETOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958579", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958579, "molecule_chembl_id": "CHEMBL1256179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.82", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPRENOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964276", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.34", "bao_label": "assay format", "molecule_pref_name": "ACETOSIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964276, "molecule_chembl_id": "CHEMBL444478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "624.59", "alogp": "-1.02", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Verbascoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4540.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958757", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958757, "molecule_chembl_id": "CHEMBL4303150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.51", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MI-773 (SAR405838)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.418", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC1NC(C(=O)NC2CCC(O)CC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958761", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958761, "molecule_chembl_id": "CHEMBL1234071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOCTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.795", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@H]1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963579", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963579, "molecule_chembl_id": "CHEMBL143210", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;4-DCPG-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959390", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959390, "molecule_chembl_id": "CHEMBL1443376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.48", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nafadotride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963296", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOLSULFONPHTHALEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963296, "molecule_chembl_id": "CHEMBL258921", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.38", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOLSULFONPHTHALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958549", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958549, "molecule_chembl_id": "CHEMBL58135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.49", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086266"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959675", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METIPRANOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959675, "molecule_chembl_id": "CHEMBL1291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metipranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959073", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD1446", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959073, "molecule_chembl_id": "CHEMBL2179529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD1446"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)o1)N1CC2CNCC2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964171", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964171, "molecule_chembl_id": "CHEMBL1435977", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "cis-ACPD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1.N[C@]1(C(=O)O)CC[C@@H](C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958205", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORANIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958205, "molecule_chembl_id": "CHEMBL192627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.88", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958158", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958158, "molecule_chembl_id": "CHEMBL173793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.51", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefamandole (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963552", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963552, "molecule_chembl_id": "CHEMBL565269", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-62247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958755", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POLYTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958755, "molecule_chembl_id": "CHEMBL1587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.89", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "polythiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958756", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958756, "molecule_chembl_id": "CHEMBL1703336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.79", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REBAMIPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](Cc1cc(O)nc2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963363, "molecule_chembl_id": "CHEMBL4303719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.45", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JTE-607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(OCCN2CCN(C)CC2)c(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963366", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963366, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cx-4945 (Silmitasertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959102", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPIVEFRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959102, "molecule_chembl_id": "CHEMBL1201262", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.44", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dipivefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958766", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958766, "molecule_chembl_id": "CHEMBL1086339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-5861528"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963370", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963370, "molecule_chembl_id": "CHEMBL494502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.28", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-264613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958330", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958330, "molecule_chembl_id": "CHEMBL1349972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-323011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957536", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REFAMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957536, "molecule_chembl_id": "CHEMBL1236682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "572.34", "alogp": "3.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "refametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958989", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958989, "molecule_chembl_id": "CHEMBL4303444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1155.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Colistin . sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8601", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963017", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINACALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963017, "molecule_chembl_id": "CHEMBL1200776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.88", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMG-073 HCl (Cinacalcet hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963022", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963022, "molecule_chembl_id": "CHEMBL508280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.38", "alogp": "2.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV1537522"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962125", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962125, "molecule_chembl_id": "CHEMBL3581764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.30", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O4I1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(CC#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962128", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962128, "molecule_chembl_id": "CHEMBL1222381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISX-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CC1)c1cc(-c2cccs2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963123, "molecule_chembl_id": "CHEMBL14060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "94.11", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960556", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960556, "molecule_chembl_id": "CHEMBL352396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "604.75", "alogp": "3.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FR-139317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960559, "molecule_chembl_id": "CHEMBL4303178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.64", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "colforsin-daproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960563", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITAGLIPTIN PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960563, "molecule_chembl_id": "CHEMBL1201174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "523.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAGLIPTIN PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960173", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALECTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960173, "molecule_chembl_id": "CHEMBL1738797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CH5424802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.245", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960335", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960335, "molecule_chembl_id": "CHEMBL88612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955564", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955564, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlexanox\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956911", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956911, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRANILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956693", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956693, "molecule_chembl_id": "CHEMBL1651524", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.47", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-3845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956666", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956666, "molecule_chembl_id": "CHEMBL1091", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956908", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956908, "molecule_chembl_id": "CHEMBL403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.25", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958849", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958849, "molecule_chembl_id": "CHEMBL312403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.72", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "saclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CS(=O)(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCAINAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963060, "molecule_chembl_id": "CHEMBL605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCAINAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958459", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958459, "molecule_chembl_id": "CHEMBL4524642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.48", "alogp": "6.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "fluorobexarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961200", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961200, "molecule_chembl_id": "CHEMBL2180179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.19", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-BDBD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN=C(c2cccc(Br)c2)c2oc3ccccc3c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961312", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961312, "molecule_chembl_id": "CHEMBL4303240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.28", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aesculin (Esculin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "109.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956318", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956318, "molecule_chembl_id": "CHEMBL1331128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145686", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145686, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959746", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959746, "molecule_chembl_id": "CHEMBL477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955964", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955964, "molecule_chembl_id": "CHEMBL1206690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Parecoxib sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955972", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANNABIDIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955972, "molecule_chembl_id": "CHEMBL190461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cannabidiol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955974", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLOXATONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955974, "molecule_chembl_id": "CHEMBL18116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toloxatone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960516", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIGITOXIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960516, "molecule_chembl_id": "CHEMBL1453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "digitoxigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.594", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960760", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960760, "molecule_chembl_id": "CHEMBL3426805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.32", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MC1568"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956390", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956390, "molecule_chembl_id": "CHEMBL2047943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPI-0479605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961145", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961145, "molecule_chembl_id": "CHEMBL172988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.06", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pentadecafluorooctanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961182", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIVANTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961182, "molecule_chembl_id": "CHEMBL2103882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.42", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tivantinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961067", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961067, "molecule_chembl_id": "CHEMBL280828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.15", "alogp": "0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "homoquinolinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961069", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HESPERETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961069, "molecule_chembl_id": "CHEMBL399121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hesperetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956296", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVESPIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956296, "molecule_chembl_id": "CHEMBL383824", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "616.76", "alogp": "1.91", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ALVESPIMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960703", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960703, "molecule_chembl_id": "CHEMBL584991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.64", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO5L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961111", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMETHIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961111, "molecule_chembl_id": "CHEMBL1191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.34", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963799", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SACUBITRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963799, "molecule_chembl_id": "CHEMBL3137301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.50", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sacubitril hemicalcium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959204", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESOMEPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959204, "molecule_chembl_id": "CHEMBL1201320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OMEPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960681", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2,4-DINITROPHENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960681, "molecule_chembl_id": "CHEMBL273386", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.11", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2;4-DINITROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960682", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960682, "molecule_chembl_id": "CHEMBL1057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955910", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955910, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Aminopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955510", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955510, "molecule_chembl_id": "CHEMBL165084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.27", "alogp": "-3.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Aceneuramic_acid sodium salt\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955512", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955512, "molecule_chembl_id": "CHEMBL36633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Oxiracetam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(O)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963892", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHEMANIL METHYLSULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963892, "molecule_chembl_id": "CHEMBL1200880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.52", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphemanil Methylsulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959302", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959302, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955891", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESAPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955891, "molecule_chembl_id": "CHEMBL1983100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.34", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Esaprazole hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCNCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961590", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961590, "molecule_chembl_id": "CHEMBL4303157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Epiandrosterone (3alphaandrosterone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.732", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961654", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYL SALICYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961654, "molecule_chembl_id": "CHEMBL1339216", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.22", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenyl-salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961238", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961238, "molecule_chembl_id": "CHEMBL53898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956352, "molecule_chembl_id": "CHEMBL399379", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.31", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-303141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955547", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICOTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955547, "molecule_chembl_id": "CHEMBL3", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@H]1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960480", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960480, "molecule_chembl_id": "CHEMBL140979", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.51", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JTC-801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959049", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959049, "molecule_chembl_id": "CHEMBL68406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "685.70", "alogp": "-8.88", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "viomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H](C2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959052", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959052, "molecule_chembl_id": "CHEMBL1421016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.46", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-152804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963610", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSI-027", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963610, "molecule_chembl_id": "CHEMBL3120215", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.45", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OSI-027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.774", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964180", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964180, "molecule_chembl_id": "CHEMBL1204779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.40", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sodium-dodecyl-sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962960", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962960, "molecule_chembl_id": "CHEMBL3951811", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.13", "alogp": "3.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-37440"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03769", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964104", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARTHENOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964104, "molecule_chembl_id": "CHEMBL540445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "parthenolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5719", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963132", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDOXURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963132, "molecule_chembl_id": "CHEMBL788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.10", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idoxuridin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963143", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963143, "molecule_chembl_id": "CHEMBL2089255", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.39", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-Mps1-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959444", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LISADIMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959444, "molecule_chembl_id": "CHEMBL2106668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lisadimate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)OCC(O)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958717", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958717, "molecule_chembl_id": "CHEMBL352418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-Hydroxy-L-proline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.712", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1C[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963908", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963908, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1; OSC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959198", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENZACAMENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959198, "molecule_chembl_id": "CHEMBL2104261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.37", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-(4-Methylbenzylidene)camphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955532", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "9-AMINOCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955532, "molecule_chembl_id": "CHEMBL274070", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.37", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "9-Aminocamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955885", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955885, "molecule_chembl_id": "CHEMBL4303665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benfotiamine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(\\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960790", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-9283", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960790, "molecule_chembl_id": "CHEMBL495727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.44", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956303", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK189254", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956303, "molecule_chembl_id": "CHEMBL517140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK189254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963450", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRODENAFIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963450, "molecule_chembl_id": "CHEMBL4297518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "531.68", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Mirodenafil (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956431", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956431, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOSAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956534", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956534, "molecule_chembl_id": "CHEMBL4591460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0557"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@]2(CC[C@@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959288", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959288, "molecule_chembl_id": "CHEMBL2103763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.40", "alogp": "-0.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.791", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145653", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145653, "molecule_chembl_id": "CHEMBL105360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.36", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Demethoxycurcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145656", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145656, "molecule_chembl_id": "CHEMBL3963965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.63", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-CBP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963538", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963538, "molecule_chembl_id": "CHEMBL4098253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958252", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958252, "molecule_chembl_id": "CHEMBL1343718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-311311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cccc(=O)c2c(C)n(C)c(C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962854", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962854, "molecule_chembl_id": "CHEMBL4303384", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.54", "alogp": "4.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY 87-2243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958255", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958255, "molecule_chembl_id": "CHEMBL243652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.20", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD096194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962857", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMCAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962857, "molecule_chembl_id": "CHEMBL2362766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.39", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963819", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963819, "molecule_chembl_id": "CHEMBL285932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.25", "alogp": "5.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM-251"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959031", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959031, "molecule_chembl_id": "CHEMBL399239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.39", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GEMIFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959658", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOTEROL HBR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959658, "molecule_chembl_id": "CHEMBL537445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.27", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENOTEROL HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958165", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958165, "molecule_chembl_id": "CHEMBL1360505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.28", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958767", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTOCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958767, "molecule_chembl_id": "CHEMBL1295", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.79", "alogp": "6.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BUTOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958056", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLDOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958056, "molecule_chembl_id": "CHEMBL459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958912", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958912, "molecule_chembl_id": "CHEMBL51697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nomifensine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPRODUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148133, "molecule_chembl_id": "CHEMBL3544988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Daprodustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152639", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152639, "molecule_chembl_id": "CHEMBL2180603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKLB1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151696", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACLIDINIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151696, "molecule_chembl_id": "CHEMBL1194325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.66", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACLIDINIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150400", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150400, "molecule_chembl_id": "CHEMBL2426364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.73", "alogp": "4.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151158", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151158, "molecule_chembl_id": "CHEMBL77538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-DPP728"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152237", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERGOLIDE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152237, "molecule_chembl_id": "CHEMBL1275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pergolide mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956172", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956172, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960958", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960958, "molecule_chembl_id": "CHEMBL597997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.52", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2894"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956155", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956155, "molecule_chembl_id": "CHEMBL4071212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TES-1025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(-c2cccs2)nc(SCc2cccc(CC(=O)O)c2)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960930", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTAMBEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960930, "molecule_chembl_id": "CHEMBL127516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUTAMBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956156", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956156, "molecule_chembl_id": "CHEMBL3774575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "642.78", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IACS-9571"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960942, "molecule_chembl_id": "CHEMBL1310336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "5.57", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML-193"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956557", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956557, "molecule_chembl_id": "CHEMBL3393127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.88", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EX229"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPACADOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956559, "molecule_chembl_id": "CHEMBL3545369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.24", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EPACADOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956244", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VADADUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956244, "molecule_chembl_id": "CHEMBL3646221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.71", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VADADUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964497", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964497, "molecule_chembl_id": "CHEMBL3797437", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120911"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964510", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964510, "molecule_chembl_id": "CHEMBL566136", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(N)sc(-c2ccccc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960089", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960089, "molecule_chembl_id": "CHEMBL488755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAS-103 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960096", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIBEFRADIL DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960096, "molecule_chembl_id": "CHEMBL1534525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.56", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mibefradil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1976", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960304", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960304, "molecule_chembl_id": "CHEMBL4303411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.96", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Naphthoquine (phosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEQUITAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955881, "molecule_chembl_id": "CHEMBL73451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955580", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINIFANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955580, "molecule_chembl_id": "CHEMBL223360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.41", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Linifanib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-203.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959852", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959852, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nepafenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960733", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIPENEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960733, "molecule_chembl_id": "CHEMBL148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.35", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imipenem Monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956029", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956029, "molecule_chembl_id": "CHEMBL117649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "173.26", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tempol-H"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(O)CC(C)(C)N1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955544", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955544, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolcapone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960497", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORISONDAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960497, "molecule_chembl_id": "CHEMBL1398654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.14", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorisondamine-diiodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955624", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLURACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955624, "molecule_chembl_id": "CHEMBL37935", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coluracetam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955549", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADEFOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955549, "molecule_chembl_id": "CHEMBL484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.19", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Adefovir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2CCOCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956048", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JOSAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956048, "molecule_chembl_id": "CHEMBL224436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Josamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960029", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960029, "molecule_chembl_id": "CHEMBL12221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "113.16", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Ethyl-2-pyrrolidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960583", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMOXOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960583, "molecule_chembl_id": "CHEMBL2105399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulfamoxole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4324", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960565", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960565, "molecule_chembl_id": "CHEMBL222418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.16", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5331", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960593", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRADIGASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960593, "molecule_chembl_id": "CHEMBL2364624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.48", "alogp": "6.65", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Pradigastat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955797", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955797, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felbamate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961546", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961546, "molecule_chembl_id": "CHEMBL536480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.45", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-4031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961387", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961387, "molecule_chembl_id": "CHEMBL4303704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "869.06", "alogp": "1.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Dioscin (Collettiside III)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.606", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956618", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW786460X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956618, "molecule_chembl_id": "CHEMBL185238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.33", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RepSox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960422", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERACETAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960422, "molecule_chembl_id": "CHEMBL1584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.58", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piperacetazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955649", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955649, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956004", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADEFOVIR DIPIVOXIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956004, "molecule_chembl_id": "CHEMBL922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.48", "alogp": "2.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Adefovir dipivoxil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956005", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DL-ANABASINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956005, "molecule_chembl_id": "CHEMBL280963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anabasine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(C2CCCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961535", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETAMINOPHEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961535, "molecule_chembl_id": "CHEMBL112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETAMINOPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW806742X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956133, "molecule_chembl_id": "CHEMBL188381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.56", "alogp": "5.18", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW806742X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959956", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959956, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246664"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.578", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960207", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PJ34", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960207, "molecule_chembl_id": "CHEMBL3233481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.80", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PJ34 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959958", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLOPATADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959958, "molecule_chembl_id": "CHEMBL1719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.88", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olopatadine hydrochloride (Opatanol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.774", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955959", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955959, "molecule_chembl_id": "CHEMBL1957037", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(\u00b1)-Equol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956226", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956226, "molecule_chembl_id": "CHEMBL1087641", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.58", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genz-123346 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956391", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GTS-21", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956391, "molecule_chembl_id": "CHEMBL134713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GTS-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2\\CCCN=C2c2cccnc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961002", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PNU-282987", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961002, "molecule_chembl_id": "CHEMBL177611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.76", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-282987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153955", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153955, "molecule_chembl_id": "CHEMBL1900758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.88", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GRANISETRON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153957", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153957, "molecule_chembl_id": "CHEMBL1698008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.26", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC697923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149456", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149456, "molecule_chembl_id": "CHEMBL4071212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TES-1025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(-c2cccs2)nc(SCc2cccc(CC(=O)O)c2)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958582", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZEBULARINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958582, "molecule_chembl_id": "CHEMBL504567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.20", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zebularine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958584", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958584, "molecule_chembl_id": "CHEMBL110239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.26", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-hydroxy-PIPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959599", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959599, "molecule_chembl_id": "CHEMBL1325297", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.55", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMEBUTINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959513", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROPANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959513, "molecule_chembl_id": "CHEMBL1742402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.38", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tropanyl-3;5-dimethylbenzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147722", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147722, "molecule_chembl_id": "CHEMBL495498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.29", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MB05032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962622", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APOCYNIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962622, "molecule_chembl_id": "CHEMBL346919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Apocynin (Acetovanillone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958023", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958023, "molecule_chembl_id": "CHEMBL2315278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.74", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-389851"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958031", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958031, "molecule_chembl_id": "CHEMBL2204240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML281 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957343", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-345541", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957343, "molecule_chembl_id": "CHEMBL249697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-345541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957409", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957409, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "APITOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962009", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMEZINIUM METILSULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962009, "molecule_chembl_id": "CHEMBL2106667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.34", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amezinium methyl sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.756", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962016", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962016, "molecule_chembl_id": "CHEMBL305195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-25-6981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957419", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957419, "molecule_chembl_id": "CHEMBL639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.91", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961839, "molecule_chembl_id": "CHEMBL1788380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "486.23", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tecastemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957427", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957427, "molecule_chembl_id": "CHEMBL2103875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "615.40", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRAMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957430", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957430, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957431", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAMBUTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957431, "molecule_chembl_id": "CHEMBL521589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BAMBUTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957281", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARDENAFIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957281, "molecule_chembl_id": "CHEMBL1520", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARDENAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957477", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957477, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962079", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962079, "molecule_chembl_id": "CHEMBL4303597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Mitiglinide Calcium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962080", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962080, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHEXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962081", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962081, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264601"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957490", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957490, "molecule_chembl_id": "CHEMBL4528156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.42", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAXAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958868, "molecule_chembl_id": "CHEMBL1160508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.16", "alogp": "-1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Cysteinesulfinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CS(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958336", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIDIAZURON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958336, "molecule_chembl_id": "CHEMBL505661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.26", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIDIAZURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1cnns1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958703", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958703, "molecule_chembl_id": "CHEMBL4303726", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "834.96", "alogp": "5.60", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "FCE-22250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N=C/N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961755", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OZANIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961755, "molecule_chembl_id": "CHEMBL3707247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.47", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ozanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.732", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961756", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961756, "molecule_chembl_id": "CHEMBL373250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.41", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-838417"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957157", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVAGACESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957157, "molecule_chembl_id": "CHEMBL1090771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.89", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVAGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957158", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957158, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957159", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957159, "molecule_chembl_id": "CHEMBL257626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(RS)-MCPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961936", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961936, "molecule_chembl_id": "CHEMBL561103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.62", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.491", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957339", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUBOXISTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957339, "molecule_chembl_id": "CHEMBL91829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.56", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LY-333531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957341", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARAPLADIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957341, "molecule_chembl_id": "CHEMBL204021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "666.79", "alogp": "7.22", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "DARAPLADIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956059", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956059, "molecule_chembl_id": "CHEMBL3355096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "622.88", "alogp": "4.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "20-O-beta-D-Glucopyranosyl-20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956066", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARITAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956066, "molecule_chembl_id": "CHEMBL3391662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "765.89", "alogp": "3.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Paritaprevir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956284", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956284, "molecule_chembl_id": "CHEMBL412099", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.82", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MF63"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-181.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3ccccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956371", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADOMEGLIVANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956371, "molecule_chembl_id": "CHEMBL3707351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.64", "alogp": "7.94", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ADOMEGLIVANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956397", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956397, "molecule_chembl_id": "CHEMBL3617655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.80", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0650786"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961344", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBOCICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961344, "molecule_chembl_id": "CHEMBL3545110", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribociclib (LEE011)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956512", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOMETHACIN MORPHOLINYLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956512, "molecule_chembl_id": "CHEMBL72631", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.90", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955841", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955841, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib phosphate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960579", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960579, "molecule_chembl_id": "CHEMBL4303294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etimizol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc(C(=O)NC)c1C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960686", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960686, "molecule_chembl_id": "CHEMBL14642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "559.71", "alogp": "2.96", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-470539"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964466", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964466, "molecule_chembl_id": "CHEMBL1449651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.30", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-dithiocarbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "N.S=C(S)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955913", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955913, "molecule_chembl_id": "CHEMBL4546972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlormethiazole edisylate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959962", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959962, "molecule_chembl_id": "CHEMBL1356775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-90709"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-44.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960223", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960223, "molecule_chembl_id": "CHEMBL2325503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.97", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "G007-LK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.679", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956251", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LERSIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956251, "molecule_chembl_id": "CHEMBL571987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.36", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LERSIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961027", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRITIOZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961027, "molecule_chembl_id": "CHEMBL1414826", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulmetozine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956078, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG 900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961046", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIRBANIBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961046, "molecule_chembl_id": "CHEMBL571546", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "KX2-391"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.114", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956271", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUORESCEIN DIACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956271, "molecule_chembl_id": "CHEMBL1492044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.39", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN DIACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956201", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956201, "molecule_chembl_id": "CHEMBL63064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DAA-1106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959859", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959859, "molecule_chembl_id": "CHEMBL4294155", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.54", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955960", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CX516", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955960, "molecule_chembl_id": "CHEMBL136800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ampalex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2nccnc2c1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960367", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960367, "molecule_chembl_id": "CHEMBL1403509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.82", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-10191584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955747", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955747, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zolmitriptan\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NUCLOMEDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959652, "molecule_chembl_id": "CHEMBL2106465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.76", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nuclomedone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.318", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964032", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964032, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pirfenidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955976", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROXURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955976, "molecule_chembl_id": "CHEMBL222280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.10", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bromodeoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955591", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-754807", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955591, "molecule_chembl_id": "CHEMBL575448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.51", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-754807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960232", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEDRATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960232, "molecule_chembl_id": "CHEMBL1287853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.69", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fedratinib (SAR302503; TG101348)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963821", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963821, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-Benzylguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.967", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955509", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIDOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955509, "molecule_chembl_id": "CHEMBL397976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "129.12", "alogp": "-0.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "L-Pyroglutamic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959830", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959830, "molecule_chembl_id": "CHEMBL1331148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.98", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELINEXOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960650, "molecule_chembl_id": "CHEMBL3545185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.31", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Selinexor (KPT-330)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959842", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TESEVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959842, "molecule_chembl_id": "CHEMBL3544983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.39", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Tesevatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955811", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LENALIDOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955811, "molecule_chembl_id": "CHEMBL848", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.26", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lenalidomide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961400", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961400, "molecule_chembl_id": "CHEMBL4303674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.83", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTB06584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960607", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXINIACIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960607, "molecule_chembl_id": "CHEMBL1591725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "139.11", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXINIACIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc[n+]([O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959940", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959940, "molecule_chembl_id": "CHEMBL1458713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.41", "alogp": "-1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Doxycycline (hyclate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREMELANOTIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959942, "molecule_chembl_id": "CHEMBL2070241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1025.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bremelanotide (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960134", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASULDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960134, "molecule_chembl_id": "CHEMBL358392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.27", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tasuldine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(SCc2cccnc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955632", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOPHOCARPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955632, "molecule_chembl_id": "CHEMBL377725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sophocarpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960412", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELBIVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960412, "molecule_chembl_id": "CHEMBL374731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Telbivudine (Sebivo; Tyzeka)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6924", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960392", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960392, "molecule_chembl_id": "CHEMBL1415927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.94", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-96544"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963713", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963713, "molecule_chembl_id": "CHEMBL1564869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.715", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961323", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BINDARIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961323, "molecule_chembl_id": "CHEMBL2107549", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bindarit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.379", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963482", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963482, "molecule_chembl_id": "CHEMBL2152944", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.43", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Skepinone-L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963317", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALAFOSFALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963317, "molecule_chembl_id": "CHEMBL3989665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.14", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alafosfalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](C)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959627", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959627, "molecule_chembl_id": "CHEMBL4303662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.55", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Autotaxin modulator 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959558", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICARIIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959558, "molecule_chembl_id": "CHEMBL553204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "676.67", "alogp": "0.07", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Icariin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959639", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROLOFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959639, "molecule_chembl_id": "CHEMBL52333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "KW-3902"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964245", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.85", "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964245, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958734", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958734, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULINDAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963339", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPMATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963339, "molecule_chembl_id": "CHEMBL3188267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.43", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Capmatinib (INCB28060)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962745", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962745, "molecule_chembl_id": "CHEMBL4303268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.69", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Patupilone (EPO906; Epothilone B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963094", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MENATETRENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963094, "molecule_chembl_id": "CHEMBL259223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.66", "alogp": "8.92", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "menatetrenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962837", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962837, "molecule_chembl_id": "CHEMBL75232", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.91", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "vatalanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963354", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCH-58261", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963354, "molecule_chembl_id": "CHEMBL17127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.37", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-58261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958751", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958751, "molecule_chembl_id": "CHEMBL434063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-1929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.779", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958832", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PANTOPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958832, "molecule_chembl_id": "CHEMBL1200408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pantoprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958435", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENSERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958435, "molecule_chembl_id": "CHEMBL74926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENSERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152417", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152417, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VX-745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLOCTAFENINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958846, "molecule_chembl_id": "CHEMBL2105075", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "floctafenine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152423", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152423, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cantharidin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154302", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.56", "bao_label": "organism-based format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154302, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27460.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153637", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLENEIODONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153637, "molecule_chembl_id": "CHEMBL365739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diphenyleneiodonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)[I+]c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963455", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963455, "molecule_chembl_id": "CHEMBL504585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-135531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957864", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOSARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957864, "molecule_chembl_id": "CHEMBL191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.92", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOSARTAN POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152432", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152432, "molecule_chembl_id": "CHEMBL1241028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.93", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957876, "molecule_chembl_id": "CHEMBL3408213", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.93", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT251545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959269", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959269, "molecule_chembl_id": "CHEMBL2011500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.20", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YK-4-279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963877", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963877, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "RAF265 (CHIR-265)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959275", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959275, "molecule_chembl_id": "CHEMBL4303145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Deoxyarbutin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.713", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OC2CCCCO2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959285", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959285, "molecule_chembl_id": "CHEMBL3182291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.39", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulbactam Pivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963779", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963779, "molecule_chembl_id": "CHEMBL4303205", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.43", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT-031374"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963756", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963756, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AR-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959158", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENFLURANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959158, "molecule_chembl_id": "CHEMBL1257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.49", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "enflurane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)OC(F)(F)C(F)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYSAFFLOR YELLOW A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959160, "molecule_chembl_id": "CHEMBL1172243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.54", "alogp": "-4.40", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Hydroxysafflor yellow A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963990", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARTEMOTIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963990, "molecule_chembl_id": "CHEMBL301267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artemotil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956779", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORMADINONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956779, "molecule_chembl_id": "CHEMBL110691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORMADINONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960395", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIBOFLAPON SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960395, "molecule_chembl_id": "CHEMBL1922673", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "659.83", "alogp": "8.98", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Fiboflapon sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960002", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960002, "molecule_chembl_id": "CHEMBL1956589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.18", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-1269574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955776", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOREPINEPHRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955776, "molecule_chembl_id": "CHEMBL1437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.18", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Noradrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-31.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955699", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TREHALOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955699, "molecule_chembl_id": "CHEMBL1236395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Trehalose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960856", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUFOGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960856, "molecule_chembl_id": "CHEMBL250172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Resibufogenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962692", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962692, "molecule_chembl_id": "CHEMBL2436978", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URMC-099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.348", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962915", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962915, "molecule_chembl_id": "CHEMBL230302", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[2-(diethylamino)ethyl]-2-iodobenzamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccccc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962768", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICYCLOMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962768, "molecule_chembl_id": "CHEMBL1200479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.96", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICYCLOMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.192", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959055", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959055, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "teriflunomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958168", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958168, "molecule_chembl_id": "CHEMBL2178105", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.68", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccccc2s1)c1cccc(C(Cl)(Cl)Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958688", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958688, "molecule_chembl_id": "CHEMBL3187408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.70", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etilefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC(O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958712", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFEPIME HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958712, "molecule_chembl_id": "CHEMBL1200962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "571.51", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFEPIME HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959461", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959461, "molecule_chembl_id": "CHEMBL4303366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "metazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C(C)OC)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964080", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEMSAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964080, "molecule_chembl_id": "CHEMBL3301620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.49", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Temsavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958355", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958355, "molecule_chembl_id": "CHEMBL391574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS057278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)O)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958907", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958907, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROPROPIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963684", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LETROZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963684, "molecule_chembl_id": "CHEMBL1444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.31", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Letrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959233", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959233, "molecule_chembl_id": "CHEMBL128136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "177.29", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulforaphane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S@@+]([O-])CCCCN=C=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959670", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUPLATAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959670, "molecule_chembl_id": "CHEMBL1180156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.45", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suplatast (Tosylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962752", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIMONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962752, "molecule_chembl_id": "CHEMBL844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.14", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "brimonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958739", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958739, "molecule_chembl_id": "CHEMBL77862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.69", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDRA-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Nc2ccc(Cl)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958744", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MESTRANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958744, "molecule_chembl_id": "CHEMBL1201151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESTRANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963221", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963221, "molecule_chembl_id": "CHEMBL379218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-674563"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958556", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958556, "molecule_chembl_id": "CHEMBL565923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.09", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958562", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIDORESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958562, "molecule_chembl_id": "CHEMBL363387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.36", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LIDORESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958542", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958542, "molecule_chembl_id": "CHEMBL2313653", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.38", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESI 05"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961919", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLARITHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961919, "molecule_chembl_id": "CHEMBL1741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "747.96", "alogp": "2.44", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CLARITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964315", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.71", "bao_label": "assay format", "molecule_pref_name": "ACRIFLAVINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964315, "molecule_chembl_id": "CHEMBL1977761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Acriflavine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1930.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146876, "molecule_chembl_id": "CHEMBL404609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IKK2 Inhibitor VI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151581", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151581, "molecule_chembl_id": "CHEMBL193228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.02", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119872"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147437", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147437, "molecule_chembl_id": "CHEMBL4303490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUN-11602"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c(NCC(=O)N(C)C2CCN(Cc3ccc(C(N)=O)cc3)CC2)c(C)c(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148301", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUPLATAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148301, "molecule_chembl_id": "CHEMBL1180156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.45", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suplatast (Tosylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149429", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149429, "molecule_chembl_id": "CHEMBL13786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.67", "alogp": "-0.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Met-enkephalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149593", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149593, "molecule_chembl_id": "CHEMBL1766779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VE-821"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150127", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150127, "molecule_chembl_id": "CHEMBL4303521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetylcarnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152103", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152103, "molecule_chembl_id": "CHEMBL6853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147599", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147599, "molecule_chembl_id": "CHEMBL474133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.48", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UCPH-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2cccc4ccccc24)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147600", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRUVATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147600, "molecule_chembl_id": "CHEMBL1162144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "88.06", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-oxopropanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152295", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152295, "molecule_chembl_id": "CHEMBL375166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-C155858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151881, "molecule_chembl_id": "CHEMBL2385597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152079", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152079, "molecule_chembl_id": "CHEMBL4542380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152708", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRETINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152708, "molecule_chembl_id": "CHEMBL464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Etretinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147576", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147576, "molecule_chembl_id": "CHEMBL389946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.60", "alogp": "3.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-2314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(=O)O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148210", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSUXIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148210, "molecule_chembl_id": "CHEMBL697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHSUXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148240", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXONE BENZOYLHYDRAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148240, "molecule_chembl_id": "CHEMBL1256836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.52", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naloxone-benzoylhydrazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147387", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDAPLATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147387, "molecule_chembl_id": "CHEMBL3137685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.18", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "image_file": "metalContaining.svg", "compound_key": "Nedaplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146789", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146789, "molecule_chembl_id": "CHEMBL2059865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-12080282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152087", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152087, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dichlorphenamide (Diclofenamide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152047, "molecule_chembl_id": "CHEMBL1354398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORPHENADRINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154468", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ROLAPITANT", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154468, "molecule_chembl_id": "CHEMBL3707331", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "rolapitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150138", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150138, "molecule_chembl_id": "CHEMBL275628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.21", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-fluorotryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(F)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957950", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957950, "molecule_chembl_id": "CHEMBL2338352", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.66", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 47965567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957951", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957951, "molecule_chembl_id": "CHEMBL1330145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID 5951923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCS(=O)(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152737", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152737, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclabendazole\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148203", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148203, "molecule_chembl_id": "CHEMBL4169078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.35", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT245737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(C(F)(F)F)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152707", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVN-944", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152707, "molecule_chembl_id": "CHEMBL3349001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVN-944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148298", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148298, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dimethyl fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149408", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149408, "molecule_chembl_id": "CHEMBL1541983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.47", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC1PNDOP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(CCC(=O)N2CCC2)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957858", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CENICRIVIROC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957858, "molecule_chembl_id": "CHEMBL2110727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "696.96", "alogp": "8.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CENICRIVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962460", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROMIDEPSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962460, "molecule_chembl_id": "CHEMBL343448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.71", "alogp": "1.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Romidepsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962041", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIIB021", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962041, "molecule_chembl_id": "CHEMBL467399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.77", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BIIB021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962058", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAMODENOSON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962058, "molecule_chembl_id": "CHEMBL431733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "544.74", "alogp": "1.06", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CF102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959324", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959324, "molecule_chembl_id": "CHEMBL408430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.34", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-1241"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1Cn1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959334", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959334, "molecule_chembl_id": "CHEMBL192254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NM107; 2'-C-methylcytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.684", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(O)C(O)C(CO)OC1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964116", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EZATIOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964116, "molecule_chembl_id": "CHEMBL2110585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.66", "alogp": "2.50", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Ezatiostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964344", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964344, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959254", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959254, "molecule_chembl_id": "CHEMBL1570294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLICLAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.958", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956362", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXADIAZON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956362, "molecule_chembl_id": "CHEMBL1080648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.23", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXADIAZON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961139", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961139, "molecule_chembl_id": "CHEMBL256470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LPA2 antagonist 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958337", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958337, "molecule_chembl_id": "CHEMBL1447467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-239967"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1n[nH]c2cccc3c(OC)ccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149189", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149189, "molecule_chembl_id": "CHEMBL159096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.54", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152766", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIPRASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152766, "molecule_chembl_id": "CHEMBL1375743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.42", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ziprasidone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149233", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149233, "molecule_chembl_id": "CHEMBL378081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXAMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151913", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITRAZ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151913, "molecule_chembl_id": "CHEMBL1365675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMITRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147047, "molecule_chembl_id": "CHEMBL445001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-METHYL (-)EPHEDRINE [1R;2S]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@H](O)c1ccccc1)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151552", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151552, "molecule_chembl_id": "CHEMBL4303400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YO-01027 (Dibenzazepine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151916", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151916, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bexarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147052", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHAPIRIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147052, "molecule_chembl_id": "CHEMBL1201043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.45", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEPHAPIRIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147053", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147053, "molecule_chembl_id": "CHEMBL143360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147066", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARSALAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147066, "molecule_chembl_id": "CHEMBL1720051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.13", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARSALAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152131", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152131, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Etifoxine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147633", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147633, "molecule_chembl_id": "CHEMBL4303194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-268712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3cnn(CCO)c3)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152492", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152492, "molecule_chembl_id": "CHEMBL284716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.26", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-hydroxy-PIPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(C/C=C/I)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151390", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151390, "molecule_chembl_id": "CHEMBL3186774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147089", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147089, "molecule_chembl_id": "CHEMBL328710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.33", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-4312"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151959", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151959, "molecule_chembl_id": "CHEMBL941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.62", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959392", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959392, "molecule_chembl_id": "CHEMBL4303325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.36", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methoxyphenyl 2-(4-isobutylphenyl)propanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.389", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(OC(=O)c2cccs2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963932", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIOSMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963932, "molecule_chembl_id": "CHEMBL231884", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "608.55", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "DIOSMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963936", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2811376", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963936, "molecule_chembl_id": "CHEMBL2333941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2811376"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.918", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959403", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959403, "molecule_chembl_id": "CHEMBL1358012", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spiroxatrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(C[C@H]1COc3ccccc3O1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961680", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOLPIDEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961680, "molecule_chembl_id": "CHEMBL911", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLPIDEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.533", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961912", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961912, "molecule_chembl_id": "CHEMBL2078948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4;4-pentamethylenepiperidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8247", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC2(CC1)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961913", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAREBASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961913, "molecule_chembl_id": "CHEMBL67654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.65", "alogp": "6.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Carebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957300", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957300, "molecule_chembl_id": "CHEMBL351231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963793", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963793, "molecule_chembl_id": "CHEMBL4303496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.40", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-67-7476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.885", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963169", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GAMMA-AMINOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963169, "molecule_chembl_id": "CHEMBL96", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "103.12", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "gamma-AMINOBUTYRIC_acid HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958364", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958364, "molecule_chembl_id": "CHEMBL1417786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.40", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-355166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNC(=O)c2ccc(C)s2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958402, "molecule_chembl_id": "CHEMBL1256392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.82", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "W-13 HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958504", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALENDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958504, "molecule_chembl_id": "CHEMBL870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.10", "alogp": "-1.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALENDRONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(O)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959305", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959305, "molecule_chembl_id": "CHEMBL1356346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.45", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH11110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(C[C@@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963802", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICEATANNOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963802, "molecule_chembl_id": "CHEMBL69863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piceatannol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151296", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151296, "molecule_chembl_id": "CHEMBL4303145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Deoxyarbutin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OC2CCCCO2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147307", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUTEZOLID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147307, "molecule_chembl_id": "CHEMBL288149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sutezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146731", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146731, "molecule_chembl_id": "CHEMBL2062804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.58", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEP33779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151459", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151459, "molecule_chembl_id": "CHEMBL1200339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.67", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-PHENYLEPHRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152617", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRACINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152617, "molecule_chembl_id": "CHEMBL1851943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.49", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB939 (Pracinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148116", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148116, "molecule_chembl_id": "CHEMBL3771180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152981", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152981, "molecule_chembl_id": "CHEMBL3600873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-5108 (VX-689)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148476", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148476, "molecule_chembl_id": "CHEMBL1593717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-162846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CCCCn1ccc(/N=C(\\N)NCC(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152523", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152523, "molecule_chembl_id": "CHEMBL202887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW788388"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCOCC1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEOYLETHANOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152402, "molecule_chembl_id": "CHEMBL280065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.54", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "oleoylethanolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152404", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOBETIROME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152404, "molecule_chembl_id": "CHEMBL107400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SOBETIROME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152405", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICI-199,441", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152405, "molecule_chembl_id": "CHEMBL38576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.34", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-199441"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959054", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOPANOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959054, "molecule_chembl_id": "CHEMBL867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.93", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IOPANIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08316", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958172", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958172, "molecule_chembl_id": "CHEMBL1234797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 1 [PMID: 15724976]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNc1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962968", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962968, "molecule_chembl_id": "CHEMBL2354521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.86", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxyfedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962983", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIOCHANIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962983, "molecule_chembl_id": "CHEMBL131921", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Biochanin A (4-Methylgenistein)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.173", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962789", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUETIAPINE FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962789, "molecule_chembl_id": "CHEMBL1200911", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.59", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUETIAPINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962671", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962671, "molecule_chembl_id": "CHEMBL4303641", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.33", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KT-433"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5478", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958964", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUDESONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958964, "molecule_chembl_id": "CHEMBL1370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "budesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958162", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "9,10-PHENANTHRENEQUINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958162, "molecule_chembl_id": "CHEMBL51931", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "9,10-PHENANTHRENEQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962764", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962764, "molecule_chembl_id": "CHEMBL408178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.52", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ST 2825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)Cc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)C(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958193", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958193, "molecule_chembl_id": "CHEMBL496782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.26", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(/C=C2\\SC(=O)NC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962660", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFATINIB DIMALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962660, "molecule_chembl_id": "CHEMBL2105712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "718.09", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Afatinib (dimaleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963024", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELMISARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963024, "molecule_chembl_id": "CHEMBL1017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "514.63", "alogp": "7.26", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TELMISARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957629", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957629, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SIMVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962117", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962117, "molecule_chembl_id": "CHEMBL4303729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.54", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX8394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962991", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXOLINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962991, "molecule_chembl_id": "CHEMBL416755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.23", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOLINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958550", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958550, "molecule_chembl_id": "CHEMBL1716015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fluorometholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963154", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDORAMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963154, "molecule_chembl_id": "CHEMBL279516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.46", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indoramin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147795", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147795, "molecule_chembl_id": "CHEMBL1090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VIDARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146815", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMIMAZOLAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146815, "molecule_chembl_id": "CHEMBL4297526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.31", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Remimazolam (benzenesulfonate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964381", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SANGUINARIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964381, "molecule_chembl_id": "CHEMBL490129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANGUINARIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151326", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAMEPROCOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151326, "molecule_chembl_id": "CHEMBL90983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.48", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "terameprocol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146828", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146828, "molecule_chembl_id": "CHEMBL1673039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.55", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ERK5-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146967", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINALOOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146967, "molecule_chembl_id": "CHEMBL25306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "linalool"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(O)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152497", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152497, "molecule_chembl_id": "CHEMBL4303222", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.62", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PDP-EA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCc1cccc(OCC(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147975", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TXA127", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147975, "molecule_chembl_id": "CHEMBL3545347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "899.02", "alogp": "-1.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "angiotensin-(1-7)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148083", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148083, "molecule_chembl_id": "CHEMBL1975212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.29", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-phenylthieno[2,3-d]pyrimidin-4-amine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2scc(-c3ccccc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152752", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELICICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152752, "molecule_chembl_id": "CHEMBL14762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.46", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Roscovitine (Seliciclib; CYC202)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147214", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-222200", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147214, "molecule_chembl_id": "CHEMBL10284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-222200"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147970", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLIPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147970, "molecule_chembl_id": "CHEMBL63", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ROLIPRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152477", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAFINAMIDE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152477, "molecule_chembl_id": "CHEMBL48582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.46", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Safinamide Mesylate (FCE28073)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146850", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146850, "molecule_chembl_id": "CHEMBL3039046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.48", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RIBOSTAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152960", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152960, "molecule_chembl_id": "CHEMBL3335790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "594.74", "alogp": "4.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AP-III-a4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOCCOCCNC(=O)Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc(NCC3CCCCC3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829741", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829741, "molecule_chembl_id": "CHEMBL286120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-77434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835221", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIZOTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835221, "molecule_chembl_id": "CHEMBL601719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Crizotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835492", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGENIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835492, "molecule_chembl_id": "CHEMBL284616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.31", "alogp": "-0.65", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "chlorogenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830821", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2090314", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830821, "molecule_chembl_id": "CHEMBL362558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.55", "alogp": "3.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LY2090314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835670", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEFLUNOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835670, "molecule_chembl_id": "CHEMBL960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Leflunomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04922", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835530", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXCARBAZEPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835530, "molecule_chembl_id": "CHEMBL1068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxcarbazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835504", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835504, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinnarizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830830", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830830, "molecule_chembl_id": "CHEMBL188166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.39", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-732,138"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830395", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830395, "molecule_chembl_id": "CHEMBL317229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.45", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CO-101244"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829740", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829740, "molecule_chembl_id": "CHEMBL505308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.23", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834722", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "17.05 \u00b1 1.17", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.77", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834722, "molecule_chembl_id": "CHEMBL4303163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBIPES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17050.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2ccc(C#N)cc2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834881, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835550", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEROSPIRONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835550, "molecule_chembl_id": "CHEMBL1472975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "perospirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1455", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835563", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835563, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "celecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147130", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPERMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147130, "molecule_chembl_id": "CHEMBL19612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.25", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPERMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148451", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZALUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148451, "molecule_chembl_id": "CHEMBL1082407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.44", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enzalutamide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152863", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152863, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOLIQUIRITIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148363, "molecule_chembl_id": "CHEMBL129795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isoliquiritigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153749", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-548", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153749, "molecule_chembl_id": "CHEMBL585902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.57", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AMG-548"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153651", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-5438", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153651, "molecule_chembl_id": "CHEMBL488436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD5438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148908", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148908, "molecule_chembl_id": "CHEMBL4303284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.16", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pralidoxime-chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccccc1CN=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153418", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUCINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153418, "molecule_chembl_id": "CHEMBL450195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rucinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149232", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149232, "molecule_chembl_id": "CHEMBL2019024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 30 [PMID: 22239545]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2[nH]c(SCc3ccccn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148396", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYODEOXYCHOLIC_ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148396, "molecule_chembl_id": "CHEMBL272621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Hyodeoxycholic_acid (HDCA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148088", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(-)-EPICATECHIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148088, "molecule_chembl_id": "CHEMBL583912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(-)-Epicatechin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149242", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOXIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149242, "molecule_chembl_id": "CHEMBL571209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-Methyl-D-tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152758", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152758, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "levothyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148299", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E968", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148299, "molecule_chembl_id": "CHEMBL349605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "-2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erythritol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153049", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREQUINAR SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153049, "molecule_chembl_id": "CHEMBL300058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.36", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Brequinar sodium salt hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148423", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLURACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148423, "molecule_chembl_id": "CHEMBL37935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coluracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152815", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUCAPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152815, "molecule_chembl_id": "CHEMBL1173055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.37", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUCAPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148523", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROVIRDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148523, "molecule_chembl_id": "CHEMBL39999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.25", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trovirdine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCCc1ccccn1)Nc1ccc(Br)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153058", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153058, "molecule_chembl_id": "CHEMBL41", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153030", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRATRICOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153030, "molecule_chembl_id": "CHEMBL41632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.93", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TIRATRICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148578", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CISAPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148578, "molecule_chembl_id": "CHEMBL1729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.95", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CISAPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148579", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOLDOPAM MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148579, "molecule_chembl_id": "CHEMBL1026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.87", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOLDOPAM MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148560", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148560, "molecule_chembl_id": "CHEMBL3221237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.60", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0773"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(F)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCc5nc6cccnc6[nH]5)CC[C@H]4[C@@H]3CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153092", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLAVOXATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153092, "molecule_chembl_id": "CHEMBL1200875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.93", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flavoxate HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153078", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153078, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine (Fanchinine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153079", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153079, "molecule_chembl_id": "CHEMBL569864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.65", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 01294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151791", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151791, "molecule_chembl_id": "CHEMBL1200542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESOXYCORTICOSTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152565", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152565, "molecule_chembl_id": "CHEMBL173706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.43", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148751", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALTREXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148751, "molecule_chembl_id": "CHEMBL1201149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.87", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALTREXONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148618", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148618, "molecule_chembl_id": "CHEMBL598952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.16", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ODQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1onc2cnc3ccccc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153361", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-5438", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153361, "molecule_chembl_id": "CHEMBL488436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD5438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152493", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOPINDOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152493, "molecule_chembl_id": "CHEMBL357995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bopindolol malonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152840", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFENDATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152840, "molecule_chembl_id": "CHEMBL105184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Bifendate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148090", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYC-116", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148090, "molecule_chembl_id": "CHEMBL482967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.47", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CYC116"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153529", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153529, "molecule_chembl_id": "CHEMBL377312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.92", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2C[N@]3CC[C@H]2CC3)c1-c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148058", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPIVASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148058, "molecule_chembl_id": "CHEMBL2325741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.92", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZD5363"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148249", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148249, "molecule_chembl_id": "CHEMBL4303318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Simeprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@H]3CC4C(=O)N(C)CCCC/C=C\\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148749", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2X-121", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148749, "molecule_chembl_id": "CHEMBL3644587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.35", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "E7449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829951", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLZIRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829951, "molecule_chembl_id": "CHEMBL51396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROLZIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC2CCC(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835425", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRIVASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835425, "molecule_chembl_id": "CHEMBL1224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "acrivastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1912", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835433", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCLOFENAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835433, "molecule_chembl_id": "CHEMBL94081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.66", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "alclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccc(CC(=O)O)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835041", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARGYLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835041, "molecule_chembl_id": "CHEMBL673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pargyline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1862", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835082", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILMENIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835082, "molecule_chembl_id": "CHEMBL289480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.25", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Rilmenidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1025", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1COC(NC(C2CC2)C2CC2)=N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835199", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTIAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835199, "molecule_chembl_id": "CHEMBL1296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.64", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefotiam hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.003068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830382", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830382, "molecule_chembl_id": "CHEMBL98572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.52", "alogp": "8.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FGIN-1-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835094", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALSALATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835094, "molecule_chembl_id": "CHEMBL154111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sasapyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2499", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1C(=O)O)c1ccccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830311", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830311, "molecule_chembl_id": "CHEMBL330038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "-2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S)-5-AMINO-2-(2-AMINOACETAMIDO)-5-OXOPENTANOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830509", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830509, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834868", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834868, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETIFOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834458", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1080", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834458, "molecule_chembl_id": "CHEMBL1969664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD1080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830054", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGMATINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830054, "molecule_chembl_id": "CHEMBL1256618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.27", "alogp": "-1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGMATINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCCN.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834756", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "4.49 \u00b1 1.12", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834756, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID855961"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4490.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830056", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINITROCHLOROBENZENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830056, "molecule_chembl_id": "CHEMBL292687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.55", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "2,4-DINITROCHLOROBENZENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STILONIUM IODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830846, "molecule_chembl_id": "CHEMBL1257065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.39", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MG-624"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833669", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORAMECTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833669, "molecule_chembl_id": "CHEMBL2361641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "899.13", "alogp": "5.91", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DORAMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\\C=C\\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828964", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828964, "molecule_chembl_id": "CHEMBL91", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Miconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1193", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828966", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINCOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828966, "molecule_chembl_id": "CHEMBL1201097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.01", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lincomycin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07654", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828976", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALOTILATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828976, "molecule_chembl_id": "CHEMBL1697754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Malotilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829337", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829337, "molecule_chembl_id": "CHEMBL15060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-PHENYLMELATONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833738", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833738, "molecule_chembl_id": "CHEMBL1378945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MR-16728"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCCCCC1)C(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833752", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEPTAMINOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833752, "molecule_chembl_id": "CHEMBL2107282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.71", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEPTAMINOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)CCCC(C)(C)O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834650, "molecule_chembl_id": "CHEMBL4303158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "740.49", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "G-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2.Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830790", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BLONANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830790, "molecule_chembl_id": "CHEMBL178803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.51", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BLONANSERIN (LONASEN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830833", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE IIA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830833, "molecule_chembl_id": "CHEMBL187266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANSHINONE IIA (TANSHINONE B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830837", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORZOXAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830837, "molecule_chembl_id": "CHEMBL1371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.57", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORZOXAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834065", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SR-3677", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834065, "molecule_chembl_id": "CHEMBL521179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-3677"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834644", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834644, "molecule_chembl_id": "CHEMBL3185326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.05", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM ACRYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830195", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830195, "molecule_chembl_id": "CHEMBL306147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830515", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830515, "molecule_chembl_id": "CHEMBL123433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.10", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-IODO-A-85380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Ic1cncc(OC[C@@H]2CCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835620", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESLORATADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835620, "molecule_chembl_id": "CHEMBL1172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.83", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desloratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.003338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834169", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRANAPLAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834169, "molecule_chembl_id": "CHEMBL4290141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.49", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BRANAPLAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834559, "molecule_chembl_id": "CHEMBL1234574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CK-636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830775", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830775, "molecule_chembl_id": "CHEMBL177828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATROPINE OXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830827", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830827, "molecule_chembl_id": "CHEMBL361259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.45", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MCN-5652-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956887", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956887, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOCLOBEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957139", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957139, "molecule_chembl_id": "CHEMBL605003", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU6656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957140", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957140, "molecule_chembl_id": "CHEMBL4593278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "657.74", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962417", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962417, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956697", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-7762", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956697, "molecule_chembl_id": "CHEMBL2041933", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-7762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962419", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMPYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962419, "molecule_chembl_id": "CHEMBL388560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMPYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.471", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957398", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACOMITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957398, "molecule_chembl_id": "CHEMBL2110732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DACOMITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962430", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962430, "molecule_chembl_id": "CHEMBL4303175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ectoine-zwitterion"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1NCC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956699", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TADALAFIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956699, "molecule_chembl_id": "CHEMBL779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.41", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TADALAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957122", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOMEPIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957122, "molecule_chembl_id": "CHEMBL1308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FOMEPIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn[nH]c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957123, "molecule_chembl_id": "CHEMBL267484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.47", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ARACHIDONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961727", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961727, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INAMRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961728, "molecule_chembl_id": "CHEMBL129788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.69", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WR99210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957846, "molecule_chembl_id": "CHEMBL192509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.39", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DY131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956832", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956832, "molecule_chembl_id": "CHEMBL269671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTEMISININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956835", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAFTIFINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956835, "molecule_chembl_id": "CHEMBL626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAFTIFINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956941", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956941, "molecule_chembl_id": "CHEMBL2152944", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.43", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Skepinone-L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEMIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956942, "molecule_chembl_id": "CHEMBL1407943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.84", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CLEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956957", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956957, "molecule_chembl_id": "CHEMBL3125890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.53", "alogp": "6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAK-632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956969", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956969, "molecule_chembl_id": "CHEMBL2012582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "3.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LRRK2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956974", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956974, "molecule_chembl_id": "CHEMBL3334621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.53", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETP-46464"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956978", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMEGUATRIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956978, "molecule_chembl_id": "CHEMBL339133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.18", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOMEGUATRIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956920", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956920, "molecule_chembl_id": "CHEMBL4519671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "PENTAMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956891", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956891, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148140", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148140, "molecule_chembl_id": "CHEMBL4530862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Povan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147190", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147190, "molecule_chembl_id": "CHEMBL1085588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.48", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEPP-46"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c2cc([S+](C)[O-])sc2c2cnn(Cc3cccc(N)c3)c(=O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150953", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARATRIPTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150953, "molecule_chembl_id": "CHEMBL1200601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.93", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naratriptan HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960418", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960418, "molecule_chembl_id": "CHEMBL2431867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MN-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955650, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956517", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956517, "molecule_chembl_id": "CHEMBL3093756", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.59", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2881"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956628", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956628, "molecule_chembl_id": "CHEMBL430405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A 922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-142.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961605", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961605, "molecule_chembl_id": "CHEMBL205596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961606", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961606, "molecule_chembl_id": "CHEMBL4303607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.40", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H]1[C@@H](OC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961495", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961495, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964361", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRONOPOL", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964361, "molecule_chembl_id": "CHEMBL1408862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.99", "alogp": "-0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRONOPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])C(Br)(CO)CO", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960642", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOXIMONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960642, "molecule_chembl_id": "CHEMBL249856", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "enoximone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955730", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955730, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tretazicar\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961296", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961296, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961187", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DITOLYLGUANIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961187, "molecule_chembl_id": "CHEMBL282433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.32", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ditolylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=N)Nc1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956471", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENTOLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956471, "molecule_chembl_id": "CHEMBL597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENTOLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956527", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LXR-623", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956527, "molecule_chembl_id": "CHEMBL456237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.78", "alogp": "6.70", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "LXR-623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961140", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961140, "molecule_chembl_id": "CHEMBL470334", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.41", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VER-155008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961142", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOMOXIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961142, "molecule_chembl_id": "CHEMBL2051959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.82", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etomoxir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.242", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961056", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1400W", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961056, "molecule_chembl_id": "CHEMBL107251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "177.25", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1400W"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCc1cccc(CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959352, "molecule_chembl_id": "CHEMBL2022156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFRONYL OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.272", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958032", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958032, "molecule_chembl_id": "CHEMBL4593961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "methionine benzimidazole 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)c(C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959804", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MINAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959804, "molecule_chembl_id": "CHEMBL1364551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINAPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963301", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963301, "molecule_chembl_id": "CHEMBL1459962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCCCC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962605", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEDOCROMIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962605, "molecule_chembl_id": "CHEMBL746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.35", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nedocromil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.743", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962607", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETAZOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962607, "molecule_chembl_id": "CHEMBL1256671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.80", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etazolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962612", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962612, "molecule_chembl_id": "CHEMBL1689369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TTP-22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962614", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYC-116", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962614, "molecule_chembl_id": "CHEMBL482967", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.47", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CYC116"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962617", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISPINESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962617, "molecule_chembl_id": "CHEMBL228814", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Ispinesib (SB-715992)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964123", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VISTUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964123, "molecule_chembl_id": "CHEMBL2336325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vistusertib (AZD2014)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-24.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964135", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964135, "molecule_chembl_id": "CHEMBL4303228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Peretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8374", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958350", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958350, "molecule_chembl_id": "CHEMBL1450942", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.74", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-298835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958352, "molecule_chembl_id": "CHEMBL1527280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML SA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959534", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RACTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959534, "molecule_chembl_id": "CHEMBL2105358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RACTOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.577", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963506", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOLEDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963506, "molecule_chembl_id": "CHEMBL924", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.09", "alogp": "-1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zoledronic_acid (Zoledronate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959542", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICARAVEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959542, "molecule_chembl_id": "CHEMBL1705525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.32", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nicaraven"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959615", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+/-)NICOTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959615, "molecule_chembl_id": "CHEMBL440464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICOTINE BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964160", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-243213", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964160, "molecule_chembl_id": "CHEMBL14460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-243213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958684", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958684, "molecule_chembl_id": "CHEMBL353335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.76", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-81297"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958546", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958546, "molecule_chembl_id": "CHEMBL98172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICX5609061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958405", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDABEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958405, "molecule_chembl_id": "CHEMBL225963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.94", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PYRIDABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963807", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABT-751", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963807, "molecule_chembl_id": "CHEMBL20684", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.42", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABT-751 (E7010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.248", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151775", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARINGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151775, "molecule_chembl_id": "CHEMBL9352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.26", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naringenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151502", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FRENTIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151502, "molecule_chembl_id": "CHEMBL128988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Frentizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962351", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962351, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK 128 (MLN0128)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147940", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147940, "molecule_chembl_id": "CHEMBL562961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1084.25", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Argipressine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBETICHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147942, "molecule_chembl_id": "CHEMBL566315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OBETICHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152446", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVADOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152446, "molecule_chembl_id": "CHEMBL13178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.47", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pravadoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152704", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHIR-99021", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152704, "molecule_chembl_id": "CHEMBL412142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.35", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-99021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957521", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-517", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957521, "molecule_chembl_id": "CHEMBL229430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AMG 517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957368", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957368, "molecule_chembl_id": "CHEMBL121626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.71", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961969", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961969, "molecule_chembl_id": "CHEMBL1241767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.54", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7979", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961828", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961828, "molecule_chembl_id": "CHEMBL2086586", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-568487 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.983", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957232", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMOCRIPTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957232, "molecule_chembl_id": "CHEMBL493", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "654.61", "alogp": "3.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "bromocriptine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962061", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962061, "molecule_chembl_id": "CHEMBL3085150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.86", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ici-215001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961869", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961869, "molecule_chembl_id": "CHEMBL409038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.76", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIM-1-Inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962207", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FORMONONETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962207, "molecule_chembl_id": "CHEMBL242341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Formononetin (Formononetol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-33.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957610", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEBRANOPADOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957610, "molecule_chembl_id": "CHEMBL2364605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.49", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CEBRANOPADOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962982", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962982, "molecule_chembl_id": "CHEMBL1643976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.96", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956749", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956749, "molecule_chembl_id": "CHEMBL513147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN193189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956762", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956762, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EPALRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956767", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANZISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956767, "molecule_chembl_id": "CHEMBL1950289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TANZISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956802", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-5438", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956802, "molecule_chembl_id": "CHEMBL488436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD5438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956672", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFAZOLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956672, "molecule_chembl_id": "CHEMBL1435", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.52", "alogp": "-0.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAZOLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956783", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956783, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PLECONARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961666", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961666, "molecule_chembl_id": "CHEMBL4303598", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.37", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bay-w-9798"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956679", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW632580X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956679, "molecule_chembl_id": "CHEMBL261849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW2580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956680", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956680, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDELALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956999", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAFFEIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956999, "molecule_chembl_id": "CHEMBL145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CAFFEIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956822", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEDAQUILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956822, "molecule_chembl_id": "CHEMBL376488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.52", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BEDAQUILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956824", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956824, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956671", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFANILAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956671, "molecule_chembl_id": "CHEMBL21", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFANILAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956717", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956717, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALOPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956774", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIVELESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956774, "molecule_chembl_id": "CHEMBL76688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SIVELESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956805", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OPICAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956805, "molecule_chembl_id": "CHEMBL1089318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.17", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "opicapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957002", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYTOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957002, "molecule_chembl_id": "CHEMBL16", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYTOIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(O)NC1(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957003", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAFOXANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957003, "molecule_chembl_id": "CHEMBL287542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "626.02", "alogp": "6.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RAFOXANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957004", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARENICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957004, "molecule_chembl_id": "CHEMBL1396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.27", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARENICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc2cc3c(cc2n1)C1CNCC3C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957005", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANFACINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957005, "molecule_chembl_id": "CHEMBL862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.10", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANFACINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957006", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPICATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957006, "molecule_chembl_id": "CHEMBL36327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.38", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(-)-Epicatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957010", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957010, "molecule_chembl_id": "CHEMBL79004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.75", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PS-1145"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957115", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIVAVOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957115, "molecule_chembl_id": "CHEMBL3979920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.39", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAK-659"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961716", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961716, "molecule_chembl_id": "CHEMBL137648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "3'-fluorobenzylspiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3675", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961802", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRADECYLTHIOACETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961802, "molecule_chembl_id": "CHEMBL187734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.50", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Tetradecylthioacetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCSCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960843", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960843, "molecule_chembl_id": "CHEMBL1398529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964491", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964491, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MYRICETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956213", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956213, "molecule_chembl_id": "CHEMBL4092421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIPA-56"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)N(O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961525", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961525, "molecule_chembl_id": "CHEMBL176544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-441756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.933", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(/C=C2\\C(=O)Nc3cccnc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961086", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961086, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIMETHYL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961566", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961566, "molecule_chembl_id": "CHEMBL3272561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1167.34", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Alarelin (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961547", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961547, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOSAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.443", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959841", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYPOXANTHINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959841, "molecule_chembl_id": "CHEMBL1427", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hypoxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960349", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960349, "molecule_chembl_id": "CHEMBL1333097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "vesamicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960305", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BITOPERTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960305, "molecule_chembl_id": "CHEMBL1171829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.46", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Bitopertin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960492", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETAPAMULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960492, "molecule_chembl_id": "CHEMBL1658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.78", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Retapamulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960402, "molecule_chembl_id": "CHEMBL2206278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AC-710"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960813", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIMAPROST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960813, "molecule_chembl_id": "CHEMBL2107456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Limaprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960675", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960675, "molecule_chembl_id": "CHEMBL3287735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960176", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENFORMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960176, "molecule_chembl_id": "CHEMBL1528839", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.73", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENFORMIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960177", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960177, "molecule_chembl_id": "CHEMBL4303334", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.64", "alogp": "-3.88", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NOV-002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955556", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXFENICINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955556, "molecule_chembl_id": "CHEMBL1232077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.16", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxfenicine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960334", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOTIRACICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960334, "molecule_chembl_id": "CHEMBL1944698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.47", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SB1317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964450", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964450, "molecule_chembl_id": "CHEMBL4303361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.26", "alogp": "3.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NT157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955882", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955882, "molecule_chembl_id": "CHEMBL29134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL29134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955846", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955846, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pimasertib hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955643", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955643, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sofalcone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956620", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956620, "molecule_chembl_id": "CHEMBL406845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.78", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959938", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959938, "molecule_chembl_id": "CHEMBL261454", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY364947"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960881, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "eniluracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956128", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TULOBUTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956128, "molecule_chembl_id": "CHEMBL1159717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.74", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)Tulobuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960212", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIPIRACIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960212, "molecule_chembl_id": "CHEMBL65375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.13", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tipiracil (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.791", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960221", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960221, "molecule_chembl_id": "CHEMBL36326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.45", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-144053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961304", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSE BENGAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961304, "molecule_chembl_id": "CHEMBL1160160", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "973.67", "alogp": "8.70", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "rose-bengal-lactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961034", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961034, "molecule_chembl_id": "CHEMBL4066998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.13", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956262", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956262, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Posaconazole\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956267", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956267, "molecule_chembl_id": "CHEMBL493076", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.37", "alogp": "3.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961043", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AXITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961043, "molecule_chembl_id": "CHEMBL1289926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.48", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "axitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961044", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961044, "molecule_chembl_id": "CHEMBL234432", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "-3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCOSAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961048", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALISKIREN FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961048, "molecule_chembl_id": "CHEMBL3545059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1219.61", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALISKIREN HEMIFUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956191", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956191, "molecule_chembl_id": "CHEMBL4520487", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMZ30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(=Cc1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960969", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960969, "molecule_chembl_id": "CHEMBL1256692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.51", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-62066 mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956196", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956196, "molecule_chembl_id": "CHEMBL4579886", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.46", "alogp": "1.03", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "3,5-Dicaffeoylquinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959869", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959869, "molecule_chembl_id": "CHEMBL4303600", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.58", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lithocholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959849", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959849, "molecule_chembl_id": "CHEMBL3582252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8918", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961500", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961500, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS 777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959855", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXCARBAZEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959855, "molecule_chembl_id": "CHEMBL1068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXCARBAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960700", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960700, "molecule_chembl_id": "CHEMBL4303322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.51", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-983970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959432", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959432, "molecule_chembl_id": "CHEMBL4303681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Vitamin B12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960236", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOCODAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960236, "molecule_chembl_id": "CHEMBL9514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.33", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nocodazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960761", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABIRATERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960761, "molecule_chembl_id": "CHEMBL271227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abiraterone Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959986", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959986, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OXYCLOZANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964437", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964437, "molecule_chembl_id": "CHEMBL510038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU3327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964442", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964442, "molecule_chembl_id": "CHEMBL571700", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.38", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylthiuram monosulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957485", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARGATROBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957485, "molecule_chembl_id": "CHEMBL1166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ARGATROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957487", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALECTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957487, "molecule_chembl_id": "CHEMBL1738797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALECTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957489", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957489, "molecule_chembl_id": "CHEMBL568150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.27", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-605240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148802", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCOPYRRONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148802, "molecule_chembl_id": "CHEMBL1201335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.44", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYCOPYRROLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957164", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARDOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957164, "molecule_chembl_id": "CHEMBL1093059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.67", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BARDOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961767", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINEPAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961767, "molecule_chembl_id": "CHEMBL1874750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cinepazide maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961944", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04447943", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961944, "molecule_chembl_id": "CHEMBL2179105", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04447943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957110", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-3839", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957110, "molecule_chembl_id": "CHEMBL2177913", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.42", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-3839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957114", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHORBOL MYRISTATE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957114, "molecule_chembl_id": "CHEMBL279115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "616.84", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "phorbol 12-myristate 13-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961837", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMELTOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961837, "molecule_chembl_id": "CHEMBL22916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ameltolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957273", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957273, "molecule_chembl_id": "CHEMBL3237875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.68", "alogp": "0.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ONX 0914"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957246", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957246, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957247", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957247, "molecule_chembl_id": "CHEMBL3798846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.60", "alogp": "3.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OICR-9429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957199", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICUMAROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957199, "molecule_chembl_id": "CHEMBL1466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.30", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICUMAROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958034", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958034, "molecule_chembl_id": "CHEMBL1611300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.55", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-625858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961898", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961898, "molecule_chembl_id": "CHEMBL358150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7906", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957359", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957359, "molecule_chembl_id": "CHEMBL2070953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.60", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961921", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961921, "molecule_chembl_id": "CHEMBL51", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.152", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154190", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154190, "molecule_chembl_id": "CHEMBL507001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.06", "alogp": "1.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIOSCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956839, "molecule_chembl_id": "CHEMBL1096979", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959307", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYBUTYNIN CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959307, "molecule_chembl_id": "CHEMBL1133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.96", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYBUTYNIN CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150570", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150570, "molecule_chembl_id": "CHEMBL1201059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.20", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROGUANIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151290", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151290, "molecule_chembl_id": "CHEMBL354048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.51", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sclareol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147945", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147945, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959133, "molecule_chembl_id": "CHEMBL1331443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;4-DCPG-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146938", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146938, "molecule_chembl_id": "CHEMBL3237719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.57", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG 925"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146717", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146717, "molecule_chembl_id": "CHEMBL600764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.80", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-348"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151803", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151803, "molecule_chembl_id": "CHEMBL4303236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147301", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147301, "molecule_chembl_id": "CHEMBL302795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TENOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146729", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-2461", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146729, "molecule_chembl_id": "CHEMBL1822792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.56", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151467", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASUGREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151467, "molecule_chembl_id": "CHEMBL1201772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.45", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prasugrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151571", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYANOPINDOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151571, "molecule_chembl_id": "CHEMBL378501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyanopindolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960567", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960567, "molecule_chembl_id": "CHEMBL1715107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.85", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUFLOMEDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959347", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMONIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959347, "molecule_chembl_id": "CHEMBL58752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pimonidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959778", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959778, "molecule_chembl_id": "CHEMBL190270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CDPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.339", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959786", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959786, "molecule_chembl_id": "CHEMBL528271", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "parbendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959787", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959787, "molecule_chembl_id": "CHEMBL3793901", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-51344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959021", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFONIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959021, "molecule_chembl_id": "CHEMBL2074922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "631.67", "alogp": "7.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "efonidipine-monoethanolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959025", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959025, "molecule_chembl_id": "CHEMBL204738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL204738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145650, "molecule_chembl_id": "CHEMBL275443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-methylhistamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc[nH]c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957051", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW620972X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957051, "molecule_chembl_id": "CHEMBL233001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.43", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS JNK 5a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154246", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.17", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154246, "molecule_chembl_id": "CHEMBL1057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "670.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152571", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-FLUOROINDOLE-2-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152571, "molecule_chembl_id": "CHEMBL23507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.15", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-FLUOROINDOLE-2-CARBOXYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148110", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148110, "molecule_chembl_id": "CHEMBL1867915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "639.83", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MOXIDECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152359", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DODECANOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152359, "molecule_chembl_id": "CHEMBL108766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.32", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dodecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152373", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLODANRIGAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152373, "molecule_chembl_id": "CHEMBL34124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.59", "alogp": "5.44", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "EMA401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958828", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958828, "molecule_chembl_id": "CHEMBL3989562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.93", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "terazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148033", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148033, "molecule_chembl_id": "CHEMBL235658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CMPD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958592", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAFTOPIDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958592, "molecule_chembl_id": "CHEMBL142635", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFTOPIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148040", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148040, "molecule_chembl_id": "CHEMBL2011500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.20", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YK-4-279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152424", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPERGUALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152424, "molecule_chembl_id": "CHEMBL1765508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "619.99", "alogp": "7.57", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "NKP608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962466", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962466, "molecule_chembl_id": "CHEMBL122413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.75", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-366791"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.119", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957865", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANSTORINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957865, "molecule_chembl_id": "CHEMBL299155", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "kynurenic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147930", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147930, "molecule_chembl_id": "CHEMBL4576233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URSOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C2C3=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147936", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147936, "molecule_chembl_id": "CHEMBL480626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.33", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BHQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147939", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147939, "molecule_chembl_id": "CHEMBL169233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.10", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "2-APB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOB(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962577", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962577, "molecule_chembl_id": "CHEMBL1231533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.23", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-604850"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959167", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959167, "molecule_chembl_id": "CHEMBL4303642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1882.33", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "GRAMICIDIN (gramicidin A shown)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962582", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACALABRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962582, "molecule_chembl_id": "CHEMBL3707348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.52", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acalabrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957550", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYLCHOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957550, "molecule_chembl_id": "CHEMBL667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.21", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCHOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962149", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETC-159", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962149, "molecule_chembl_id": "CHEMBL3633802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ETC-159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961852", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SRT-2104", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961852, "molecule_chembl_id": "CHEMBL4297436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.65", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "SRT2104 (GSK2245840)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.833", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961857", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961857, "molecule_chembl_id": "CHEMBL492572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.98", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0155069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963557", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLRESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963557, "molecule_chembl_id": "CHEMBL436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958401", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECAMYLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958401, "molecule_chembl_id": "CHEMBL267936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.30", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mecamylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1(C)C2CCC(C2)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964287", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.65", "bao_label": "assay format", "molecule_pref_name": "IOCANLIDIC ACID", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964287, "molecule_chembl_id": "CHEMBL128251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.40", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "omega-(4-Iodophenyl)pentadecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2250.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCCCCCCCc1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956444", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GAMBOGIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956444, "molecule_chembl_id": "CHEMBL555017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "628.76", "alogp": "7.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GAMBOGIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956344", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956344, "molecule_chembl_id": "CHEMBL3754515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.76", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06260933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961121", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961121, "molecule_chembl_id": "CHEMBL415049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.55", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "AZD1152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149231", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTETAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149231, "molecule_chembl_id": "CHEMBL474579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.63", "alogp": "-1.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOTETAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153299", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOTINIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153299, "molecule_chembl_id": "CHEMBL1079742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.90", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erlotinib(OSI-744)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153611", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153611, "molecule_chembl_id": "CHEMBL261491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Go 6983"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149219", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149219, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153304", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERDEMETAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153304, "molecule_chembl_id": "CHEMBL2137530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.42", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ 26854165 (Serdemetan)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153279", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARTEINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153279, "molecule_chembl_id": "CHEMBL2303617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.54", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPARTEINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.O.O.O.O.O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962987", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962987, "molecule_chembl_id": "CHEMBL2381342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX-02189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.743", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959701", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TICLOPIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959701, "molecule_chembl_id": "CHEMBL1717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.25", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TICLOPIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963096", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963096, "molecule_chembl_id": "CHEMBL4303700", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.49", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU14813"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.564", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959598", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959598, "molecule_chembl_id": "CHEMBL3039355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DANAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959603", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959603, "molecule_chembl_id": "CHEMBL4303709", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.21", "alogp": "-3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetylmannosamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1[C@@H](O)OC(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959124", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMEPRAZINE TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959124, "molecule_chembl_id": "CHEMBL1713082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.54", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMEPRAZINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964218", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.27", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964218, "molecule_chembl_id": "CHEMBL3797437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120911"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "540.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963191", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963191, "molecule_chembl_id": "CHEMBL85194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-200646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958676", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOXILAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958676, "molecule_chembl_id": "CHEMBL1201075", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "IOXILAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151366", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151366, "molecule_chembl_id": "CHEMBL4528169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HEDERAGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147026", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147026, "molecule_chembl_id": "CHEMBL698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.37", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRACAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957022", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAMIVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957022, "molecule_chembl_id": "CHEMBL141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMIVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STIRIPENTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959402, "molecule_chembl_id": "CHEMBL1983350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.29", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "stiripentol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHROMOCARB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963942, "molecule_chembl_id": "CHEMBL83628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.15", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHROMOCARB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957156", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTOSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957156, "molecule_chembl_id": "CHEMBL1580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOSTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957033", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957033, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CLOSANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957042", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957042, "molecule_chembl_id": "CHEMBL2381342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX02189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957168", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957168, "molecule_chembl_id": "CHEMBL188528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-200070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957177", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SKF-38393", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957177, "molecule_chembl_id": "CHEMBL286080", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961714", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIETHYLCARBAMAZINE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961714, "molecule_chembl_id": "CHEMBL937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLCARBAMAZINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.382", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961871", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIGUSTILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961871, "molecule_chembl_id": "CHEMBL481246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ligustilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.022", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/C=C1\\OC(=O)C2=C1CCC=C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961841", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961841, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "zonisamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.575", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961874", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAROPIPRANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961874, "molecule_chembl_id": "CHEMBL426559", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Laropiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961843", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961843, "molecule_chembl_id": "CHEMBL4303675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6;_7-dehydro-17-acetoxy-progesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961876, "molecule_chembl_id": "CHEMBL4303312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.80", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riodoxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c(O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961884", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SECURININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961884, "molecule_chembl_id": "CHEMBL303062", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SECURININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957292", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSIGLITAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957292, "molecule_chembl_id": "CHEMBL121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.44", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSIGLITAZONE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957318", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957318, "molecule_chembl_id": "CHEMBL26320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.59", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR12935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962831", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962831, "molecule_chembl_id": "CHEMBL4303395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pinanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@H](O)[C@](C)(O)[C@@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959696", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959696, "molecule_chembl_id": "CHEMBL139367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Peramivir Trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962848", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962848, "molecule_chembl_id": "CHEMBL1683636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.58", "alogp": "7.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NH125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963718", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-269962A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963718, "molecule_chembl_id": "CHEMBL220241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.61", "alogp": "3.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK269962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962585", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIMONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962585, "molecule_chembl_id": "CHEMBL517449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.52", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Limonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962590", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962590, "molecule_chembl_id": "CHEMBL1591074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.42", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBS; N-Cyclohexyl-2-benzothiazolesulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SNC3CCCCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962593", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYMAZOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962593, "molecule_chembl_id": "CHEMBL2106467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.33", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tymazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1255", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)c(OCC2=NCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962966", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962966, "molecule_chembl_id": "CHEMBL2361429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.63", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "linsidomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c[n+](N2CCOCC2)no1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963422", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963422, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957899", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957899, "molecule_chembl_id": "CHEMBL2179319", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.45", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNJ-42153605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963423", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963423, "molecule_chembl_id": "CHEMBL431298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.00", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 271046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.172", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964378", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARACEMIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964378, "molecule_chembl_id": "CHEMBL9116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "-0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caracemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CNC(=O)ON(C(C)=O)C(=O)NC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959030", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959030, "molecule_chembl_id": "CHEMBL296263", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THREONINE (dl)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964293", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.88", "bao_label": "assay format", "molecule_pref_name": "CARACEMIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964293, "molecule_chembl_id": "CHEMBL9116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "-0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caracemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)ON(C(C)=O)C(=O)NC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963259", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPARACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963259, "molecule_chembl_id": "CHEMBL1200464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.86", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proparacaine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962101", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962101, "molecule_chembl_id": "CHEMBL541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957504", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957504, "molecule_chembl_id": "CHEMBL1673046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-92"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962917", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962917, "molecule_chembl_id": "CHEMBL347285", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.11", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-aconitic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C(/CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961131", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961131, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153673", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153673, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153769", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153769, "molecule_chembl_id": "CHEMBL3109036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.52", "alogp": "5.63", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RO8994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149273", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGNENOLONE SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149273, "molecule_chembl_id": "CHEMBL2105373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.56", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PREGNENOLONE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149744", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOXITIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149744, "molecule_chembl_id": "CHEMBL996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.46", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFOXITIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963240", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMPERIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963240, "molecule_chembl_id": "CHEMBL28218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963631", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963631, "molecule_chembl_id": "CHEMBL1257423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956787", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956787, "molecule_chembl_id": "CHEMBL1450770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID755673"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCCc2c1oc1ccc(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154175", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154175, "molecule_chembl_id": "CHEMBL4544478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.42", "alogp": "5.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "G-749"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)c3c(=O)[nH]cc(Br)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154232", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.42", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154232, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148201", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148201, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Voriconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152705", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAZOXIBEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152705, "molecule_chembl_id": "CHEMBL267473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dazoxiben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(OCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956864", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956864, "molecule_chembl_id": "CHEMBL1947204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.89", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956873", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIPRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956873, "molecule_chembl_id": "CHEMBL11", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.42", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIPRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956876, "molecule_chembl_id": "CHEMBL224120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.45", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ademetionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835271", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETODOLAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835271, "molecule_chembl_id": "CHEMBL622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etodolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1492", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830276", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLANILIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830276, "molecule_chembl_id": "CHEMBL82970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYLSALICYLANILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147127", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147127, "molecule_chembl_id": "CHEMBL1966136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.16", "alogp": "8.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NSC636819"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)c(Cl)c2)cc1/C=C/c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147227", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSTEVIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147227, "molecule_chembl_id": "CHEMBL462653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.46", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isosteviol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151731", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151731, "molecule_chembl_id": "CHEMBL430405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152648", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152648, "molecule_chembl_id": "CHEMBL2431120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151634", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151634, "molecule_chembl_id": "CHEMBL3672295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OTS514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152522", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152522, "molecule_chembl_id": "CHEMBL375629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.63", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "N-benzylnaltrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147138", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETONOGESTREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147138, "molecule_chembl_id": "CHEMBL1531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etonogestrel\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149047, "molecule_chembl_id": "CHEMBL247920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.56", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-309403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149241", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149241, "molecule_chembl_id": "CHEMBL4059722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRAMADOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147264", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANASTROZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147264, "molecule_chembl_id": "CHEMBL1399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANASTROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151770", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151770, "molecule_chembl_id": "CHEMBL254328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.52", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abiraterone (CB-7598)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146864", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CC-401", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146864, "molecule_chembl_id": "CHEMBL1614713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.48", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-401 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148635, "molecule_chembl_id": "CHEMBL1409203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.28", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-119261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(S)ncnc3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153141", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153141, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROPROPIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148636", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148636, "molecule_chembl_id": "CHEMBL551466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aclidinium Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149152", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUGENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149152, "molecule_chembl_id": "CHEMBL42710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Allylguaiacol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154371", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154371, "molecule_chembl_id": "CHEMBL376379", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bemesetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149000", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMINE-T", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149000, "molecule_chembl_id": "CHEMBL1697734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.65", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORAMINE-T"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149001", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149001, "molecule_chembl_id": "CHEMBL446918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.04", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C)c(Cl)c(=O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149004", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149004, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLANZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148754", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148754, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emtricitabine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153261", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELADELPAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153261, "molecule_chembl_id": "CHEMBL230158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.47", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SELADELPAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153390", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GELDANAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153390, "molecule_chembl_id": "CHEMBL278315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.64", "alogp": "2.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Geldanamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153281", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-269962A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153281, "molecule_chembl_id": "CHEMBL220241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.61", "alogp": "3.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK269962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147082", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSPHENYTOIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147082, "molecule_chembl_id": "CHEMBL919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.24", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fosphenytoin disodium salt hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147452", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-1064", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147452, "molecule_chembl_id": "CHEMBL3338866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.91", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-1064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148665", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148665, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149044", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELNACRINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149044, "molecule_chembl_id": "CHEMBL23455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.34", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxytacrine-maleate-(r;s)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151650", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151650, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153521", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153521, "molecule_chembl_id": "CHEMBL3962672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.00", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 0332991 (Palbociclib) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150879", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELAIDIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150879, "molecule_chembl_id": "CHEMBL460657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.47", "alogp": "6.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148171", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148171, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EZETIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153811", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CT-7001", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153811, "molecule_chembl_id": "CHEMBL4297488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ICEC0942"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151721", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRACIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151721, "molecule_chembl_id": "CHEMBL1625260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tiracizine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147119", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147119, "molecule_chembl_id": "CHEMBL1173670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.30", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "HA-130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1S/C(=C\\c2ccc(OCc3cccc(B(O)O)c3)cc2)C(=O)N1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149052", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149052, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149053", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYPROGESTERONE CAPROATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149053, "molecule_chembl_id": "CHEMBL1200848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "17-Hydroxyprogesterone caproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148290", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148290, "molecule_chembl_id": "CHEMBL366563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "-0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Cystine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CSSCC(N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151744", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLAZURIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151744, "molecule_chembl_id": "CHEMBL284733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.64", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diclazuril\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152521", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW9508", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152521, "molecule_chembl_id": "CHEMBL207881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW9508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147234", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147234, "molecule_chembl_id": "CHEMBL3928332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.44", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BC 11-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148292", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISEDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148292, "molecule_chembl_id": "CHEMBL923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.11", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Risedronate sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153616", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153616, "molecule_chembl_id": "CHEMBL2204239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.48", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148945", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOBETIROME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148945, "molecule_chembl_id": "CHEMBL107400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "sobetirome"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149127", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149127, "molecule_chembl_id": "CHEMBL486226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-707035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148909", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148909, "molecule_chembl_id": "CHEMBL238125", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.76", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149008", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149008, "molecule_chembl_id": "CHEMBL287327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.23", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-689560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153512", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUAMINOHEPTANE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153512, "molecule_chembl_id": "CHEMBL3560769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.52", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUAMINOHEPTANE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(C)N.CCCCCC(C)N.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148434", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148434, "molecule_chembl_id": "CHEMBL6705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-aminobenzenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147291", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXYLENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147291, "molecule_chembl_id": "CHEMBL398440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.61", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXYLENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc(C)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150877", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150877, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148835", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEGUATRIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148835, "molecule_chembl_id": "CHEMBL339133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.18", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOMEGUATRIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153205", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153205, "molecule_chembl_id": "CHEMBL2420629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.43", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-617"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153352", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROQUINIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153352, "molecule_chembl_id": "CHEMBL1906890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "HYDROQUINIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151219", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151219, "molecule_chembl_id": "CHEMBL406821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.43", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151926", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151926, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Camostat Mesilate (FOY-305)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151193", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151193, "molecule_chembl_id": "CHEMBL243644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC1MTT7T"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146693", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146693, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYRAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146710", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146710, "molecule_chembl_id": "CHEMBL2140173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.68", "alogp": "4.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KU-60019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151225", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALACEPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151225, "molecule_chembl_id": "CHEMBL2103775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.50", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alacepril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147664", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOCAPROIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147664, "molecule_chembl_id": "CHEMBL1046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6-aminocaproic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151492", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISOPYRAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151492, "molecule_chembl_id": "CHEMBL517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISOPYRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148487", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KU-55933", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148487, "molecule_chembl_id": "CHEMBL222102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU-55933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151686", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NECROSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151686, "molecule_chembl_id": "CHEMBL195008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "necrostatin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149299", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149299, "molecule_chembl_id": "CHEMBL4541438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.38", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCO-1112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)NCCOc2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150088", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150088, "molecule_chembl_id": "CHEMBL1417849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.57", "alogp": "-0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acivicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)[C@@H]1CC(Cl)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147419", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MBX-2982", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147419, "molecule_chembl_id": "CHEMBL3260505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.56", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MBX-2982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151925", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCLIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151925, "molecule_chembl_id": "CHEMBL1201271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.04", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "buclizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151215", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151215, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sonidegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146865", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GF-109203", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146865, "molecule_chembl_id": "CHEMBL7463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GF109203X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146624", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANNABIDIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146624, "molecule_chembl_id": "CHEMBL190461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cannabidiol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146147", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "[11C]SA4503", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146147, "molecule_chembl_id": "CHEMBL408867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cutamesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150435", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOPERAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150435, "molecule_chembl_id": "CHEMBL507674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.68", "alogp": "-1.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOPERAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147128", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147128, "molecule_chembl_id": "CHEMBL1522791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.20", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sanazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNC(=O)Cn1cnc([N+](=O)[O-])n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151633", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JUGLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151633, "molecule_chembl_id": "CHEMBL43612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.16", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JUGLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)c2c(O)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147131", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147131, "molecule_chembl_id": "CHEMBL3092537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151734", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151734, "molecule_chembl_id": "CHEMBL522502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.43", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QNZ (EVP4593)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151637", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-42", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151637, "molecule_chembl_id": "CHEMBL191482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AR-42 (HDAC-42)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147233", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147233, "molecule_chembl_id": "CHEMBL4303675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6;_7-dehydro-17-acetoxy-progesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147139", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147139, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loteprednol etabonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147141", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147141, "molecule_chembl_id": "CHEMBL1200906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.41", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPHENONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147247", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFUROXAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147247, "molecule_chembl_id": "CHEMBL244888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFUROXAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151649", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151649, "molecule_chembl_id": "CHEMBL2338352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.66", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 47965567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147147", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELIGLUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147147, "molecule_chembl_id": "CHEMBL2110588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eliglustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150797", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150797, "molecule_chembl_id": "CHEMBL4303392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "140.14", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150802", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB590885", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150802, "molecule_chembl_id": "CHEMBL477989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.55", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB590885"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\\O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150803", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150803, "molecule_chembl_id": "CHEMBL235993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tegafur (FT-207; NSC 148958)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150807", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150807, "molecule_chembl_id": "CHEMBL1076257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.21", "alogp": "-1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Fluoro-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150808", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150808, "molecule_chembl_id": "CHEMBL1765740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.60", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2334470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150811", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150811, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLCAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150814", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150814, "molecule_chembl_id": "CHEMBL4593105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cabergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146316", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146316, "molecule_chembl_id": "CHEMBL38763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.14", "alogp": "8.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-140333"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146318", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146318, "molecule_chembl_id": "CHEMBL604677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H2L-5765834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150825", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERBERINE CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150825, "molecule_chembl_id": "CHEMBL12089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.82", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BERBERINE CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150856", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASIMELTEON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150856, "molecule_chembl_id": "CHEMBL2103822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tasimelteon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148836", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148836, "molecule_chembl_id": "CHEMBL4303320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.56", "alogp": "-1.35", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Naringin Dihydrochalcone (Naringin DC)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150679", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUSENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150679, "molecule_chembl_id": "CHEMBL23261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DARUSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146537, "molecule_chembl_id": "CHEMBL3391755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.02", "alogp": "2.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GNTI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149291", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149291, "molecule_chembl_id": "CHEMBL4303259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-5601640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146552", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUPROLIDE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146552, "molecule_chembl_id": "CHEMBL1200775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1269.47", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Leuprolide Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150631", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150631, "molecule_chembl_id": "CHEMBL1200359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151120", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151120, "molecule_chembl_id": "CHEMBL1301914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-304036"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(CSc2nc[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151923", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILECT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151923, "molecule_chembl_id": "CHEMBL1235738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RASAGILINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@H]1CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151124", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICERITROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151124, "molecule_chembl_id": "CHEMBL1697762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.53", "alogp": "2.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "niceritrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151130", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151130, "molecule_chembl_id": "CHEMBL2392189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUAIFENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151946", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151946, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sofalcone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150438", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-KETOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150438, "molecule_chembl_id": "CHEMBL372052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KETOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145941", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-BROMOINDIRUBIN-3'-ACETOXIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145941, "molecule_chembl_id": "CHEMBL430226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.22", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO-acetoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152560", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152560, "molecule_chembl_id": "CHEMBL494502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.28", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-264613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149847", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149847, "molecule_chembl_id": "CHEMBL4303289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMI-4a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2cccc(C(F)(F)F)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154351", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.33", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154351, "molecule_chembl_id": "CHEMBL2178735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.49", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM201636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4730.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152567", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152567, "molecule_chembl_id": "CHEMBL591361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.78", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148470", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148470, "molecule_chembl_id": "CHEMBL485210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(COc2cccc(/C=C3\\C(=O)NN(c4ccccc4)C3=O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154083", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154083, "molecule_chembl_id": "CHEMBL1317618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.57", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "prenylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152992", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GTS-21", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152992, "molecule_chembl_id": "CHEMBL134713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GTS21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2\\CCCN=C2c2cccnc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152994", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROLOXIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152994, "molecule_chembl_id": "CHEMBL487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SCHEMBL4843"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153427", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153427, "molecule_chembl_id": "CHEMBL230128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ECHINOCYSTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146550", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMONIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146550, "molecule_chembl_id": "CHEMBL58752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pimonidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148830", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148830, "molecule_chembl_id": "CHEMBL3109656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.46", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "disodium 7;7'-(carbonyldiimino)bis(4-hydroxy-2-naphthalenesulfonate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150892", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMYGDALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150892, "molecule_chembl_id": "CHEMBL461727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.43", "alogp": "-3.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Amygdalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151003", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151003, "molecule_chembl_id": "CHEMBL261693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.31", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV666021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148740", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COENZYME_A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148740, "molecule_chembl_id": "CHEMBL1213327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "767.54", "alogp": "-1.67", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "coenzyme-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148819", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEDUNIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148819, "molecule_chembl_id": "CHEMBL465226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.57", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gedunin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148741", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148741, "molecule_chembl_id": "CHEMBL1970071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.45", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-5541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153500", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153500, "molecule_chembl_id": "CHEMBL1572655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.05", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MITOTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149315", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GINSENOSIDE RD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149315, "molecule_chembl_id": "CHEMBL473659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "947.17", "alogp": "-0.03", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Ginsenoside Rd"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149316", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149316, "molecule_chembl_id": "CHEMBL38508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.50", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-0742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148874", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148874, "molecule_chembl_id": "CHEMBL1671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPRANOLOL HYDROCHLORIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149328", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149328, "molecule_chembl_id": "CHEMBL4574125", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.22", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IO-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnn(-c2cc(-n3cccn3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151593", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151593, "molecule_chembl_id": "CHEMBL2012582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "3.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LRRK2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153265", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLATE MOFETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153265, "molecule_chembl_id": "CHEMBL1456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate mofetil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151470", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151470, "molecule_chembl_id": "CHEMBL527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIROXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149275", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149275, "molecule_chembl_id": "CHEMBL3337894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.51", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151656", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULTHIAME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151656, "molecule_chembl_id": "CHEMBL328560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.37", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULTHIAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147348", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUMETANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147348, "molecule_chembl_id": "CHEMBL1072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUMETANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151714", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151714, "molecule_chembl_id": "CHEMBL3087498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.58", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGC 0946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146153", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMHEXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146153, "molecule_chembl_id": "CHEMBL1319139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.60", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMHEXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150437", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150437, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002554901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146192", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOTHIAZYL DISULFIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146192, "molecule_chembl_id": "CHEMBL508112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.50", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZOTHIAZYL DISULFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SSc3nc4ccccc4s3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150443", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NECA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150443, "molecule_chembl_id": "CHEMBL464859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.30", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153493", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153493, "molecule_chembl_id": "CHEMBL3582252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149307", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149307, "molecule_chembl_id": "CHEMBL456145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1Cc2[nH]nc(-c3nn[nH]n3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152551", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152551, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltitrexed\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149563", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149563, "molecule_chembl_id": "CHEMBL3181841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ramosetron (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149564", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149564, "molecule_chembl_id": "CHEMBL4303296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149633", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149633, "molecule_chembl_id": "CHEMBL1997663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.54", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ethacizin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146554", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146554, "molecule_chembl_id": "CHEMBL2093109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.86", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trimethoquinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148118", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148118, "molecule_chembl_id": "CHEMBL1513232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.56", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Linoleoyl GABA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148922", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148922, "molecule_chembl_id": "CHEMBL453087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.66", "alogp": "-8.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147170", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHADIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147170, "molecule_chembl_id": "CHEMBL695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.14", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)OC(C)(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148928", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148928, "molecule_chembl_id": "CHEMBL1765740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.60", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2334470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153431", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153431, "molecule_chembl_id": "CHEMBL3094387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.25", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-1078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148130", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148130, "molecule_chembl_id": "CHEMBL1274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.22", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NILUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148006", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIROGACESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148006, "molecule_chembl_id": "CHEMBL1770916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.66", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nirogacestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961610", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961610, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Piceid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150392", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150392, "molecule_chembl_id": "CHEMBL3183486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.90", "alogp": "6.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "xaliproden"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147610", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOBENDAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147610, "molecule_chembl_id": "CHEMBL24646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pimobendan (Vetmedin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146010", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOMELATONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146010, "molecule_chembl_id": "CHEMBL289233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.18", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-iodomelatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152164", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152164, "molecule_chembl_id": "CHEMBL597477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.71", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EX 527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146019", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE PIVALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146019, "molecule_chembl_id": "CHEMBL1200592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "desoxycorticosterone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150903", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150903, "molecule_chembl_id": "CHEMBL14060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.11", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146521", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146521, "molecule_chembl_id": "CHEMBL575239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.20", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-acetyl-4-methylpiperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146527", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146527, "molecule_chembl_id": "CHEMBL1339229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.59", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc(O)c2c(n1)c(C(C)(C)C)nn2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146140", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146140, "molecule_chembl_id": "CHEMBL420311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.71", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EX-527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152367", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152367, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146172", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLOROGLUCINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146172, "molecule_chembl_id": "CHEMBL473159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phloroglucin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146674", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STIRIPENTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146674, "molecule_chembl_id": "CHEMBL1983350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.29", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "stiripentol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150674", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELLAGIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150674, "molecule_chembl_id": "CHEMBL6246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.19", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ELLAGIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150459", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIKETOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150459, "molecule_chembl_id": "CHEMBL2106966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piketoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147883", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARAVIROC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147883, "molecule_chembl_id": "CHEMBL1201187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MARAVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146181", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOTYROSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146181, "molecule_chembl_id": "CHEMBL479789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.09", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-Tyr(3-I)-OH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152596", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRADIGASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152596, "molecule_chembl_id": "CHEMBL2364624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.48", "alogp": "6.65", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Pradigastat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147888", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147888, "molecule_chembl_id": "CHEMBL4060831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ015666"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152600", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152600, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Epalrestat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148097", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOCREATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148097, "molecule_chembl_id": "CHEMBL179900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.15", "alogp": "-1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclocreatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCCN1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152601", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152601, "molecule_chembl_id": "CHEMBL2363137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH-535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146801", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146801, "molecule_chembl_id": "CHEMBL4303394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R)-Oxiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1C[C@H](O)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151305", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RADIPRODIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151305, "molecule_chembl_id": "CHEMBL182066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.41", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Radiprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147218", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147218, "molecule_chembl_id": "CHEMBL4303295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD-9876"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147120", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147120, "molecule_chembl_id": "CHEMBL332898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.81", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MY-5445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151724", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151724, "molecule_chembl_id": "CHEMBL1412640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.26", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-631752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(=O)c1ccccc1)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151626", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELESCLOMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151626, "molecule_chembl_id": "CHEMBL1972860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.53", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Elesclomol (STA-4783)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151728, "molecule_chembl_id": "CHEMBL4068896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.39", "alogp": "6.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BLU9931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153833", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153833, "molecule_chembl_id": "CHEMBL2333770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "6.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151834", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-SUPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151834, "molecule_chembl_id": "CHEMBL253765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suprofen (Profenal)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151166", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DONITRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151166, "molecule_chembl_id": "CHEMBL1742428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.49", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "donitriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150596", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOPATADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150596, "molecule_chembl_id": "CHEMBL1189432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olopatadine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148138", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148138, "molecule_chembl_id": "CHEMBL2180273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.53", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ITD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150917", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYROSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150917, "molecule_chembl_id": "CHEMBL1200862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metirosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962429", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962429, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAL-101 (GS-1101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962332", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIZOCILPINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962332, "molecule_chembl_id": "CHEMBL344151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dizocilpine-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12N[C@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957050", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957050, "molecule_chembl_id": "CHEMBL515414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.37", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FMK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956728", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956728, "molecule_chembl_id": "CHEMBL95889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "118.16", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "betaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956741", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TICAGRELOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956741, "molecule_chembl_id": "CHEMBL398435", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TICAGRELOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962379", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYALURONATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962379, "molecule_chembl_id": "CHEMBL2105008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.32", "alogp": "-4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "hyaluronic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958120", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958120, "molecule_chembl_id": "CHEMBL581893", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.26", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 28 [PMID: 28671460]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(NC(=N)N)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957571", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOTAROLIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957571, "molecule_chembl_id": "CHEMBL219410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "966.23", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "zotarolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962173", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCODAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962173, "molecule_chembl_id": "CHEMBL596009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROCODAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958299", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958299, "molecule_chembl_id": "CHEMBL1427719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-331218"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962906", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962906, "molecule_chembl_id": "CHEMBL2177380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.01", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipatasertib (GDC-0068)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.923", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@@H]3O)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962373", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINIDINE GLUCONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962373, "molecule_chembl_id": "CHEMBL1200437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.58", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUINIDINE GLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958312", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958312, "molecule_chembl_id": "CHEMBL4548433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.76", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ALPHA-NAPHTHOFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(-c2ccccc2)[o+]c2c1ccc1ccccc12.[O-][Cl+3]([O-])([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964331", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RABEPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964331, "molecule_chembl_id": "CHEMBL1200930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rabeprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958564", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958564, "molecule_chembl_id": "CHEMBL109037", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.19", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Hydroxy-DL-DOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1cc(O)c(O)cc1O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961973", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961973, "molecule_chembl_id": "CHEMBL3335794", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "649.63", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK-2837808A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(C(=O)O)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957895", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957895, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957897", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GF-109203", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957897, "molecule_chembl_id": "CHEMBL7463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GF109203X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961676", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZAPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961676, "molecule_chembl_id": "CHEMBL20562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.17", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)S/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958296", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958296, "molecule_chembl_id": "CHEMBL120768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOLMITRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962144", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBARIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962144, "molecule_chembl_id": "CHEMBL46917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.881", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957547", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VOLASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957547, "molecule_chembl_id": "CHEMBL1233528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.83", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "VOLASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962353", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINOPIRDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962353, "molecule_chembl_id": "CHEMBL319111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.47", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "linopirdine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961992", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-03882845", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961992, "molecule_chembl_id": "CHEMBL3545175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 1, "image_file": "smallMolecule.svg", "compound_key": "PF-03882845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-69.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957874", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957874, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957900", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957900, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "CANDESARTAN CILEXETIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962546", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORBIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962546, "molecule_chembl_id": "CHEMBL295433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORBIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.214", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957929", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957929, "molecule_chembl_id": "CHEMBL279564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2ccc3cccc4ccc(c1)c2c34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962531", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK2256294", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962531, "molecule_chembl_id": "CHEMBL3818875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2256294A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962535", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOTROPIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962535, "molecule_chembl_id": "CHEMBL3545181", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.44", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiotropium Bromide hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.682", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962479", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962479, "molecule_chembl_id": "CHEMBL4303455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.86", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-209929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958097", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958097, "molecule_chembl_id": "CHEMBL290216", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABOB (beta-hydroxy-GABA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830370", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830370, "molecule_chembl_id": "CHEMBL99344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.43", "alogp": "6.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PACOCF3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835236", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAVERIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835236, "molecule_chembl_id": "CHEMBL19633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diaveridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1965", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2cnc(N)nc2N)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830493", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830493, "molecule_chembl_id": "CHEMBL118687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-39"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830298", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDAFOTEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830298, "molecule_chembl_id": "CHEMBL90564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.19", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIDAFOTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1CN(C/C=C/P(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835049", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLOROGLUCINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835049, "molecule_chembl_id": "CHEMBL473159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phloroglucin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06366", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830737", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830737, "molecule_chembl_id": "CHEMBL2361649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.76", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATIPAMEZOLE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2cnc[nH]2)Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835568", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLECALCIFEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835568, "molecule_chembl_id": "CHEMBL1042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "cholecalciferol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834750", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5 \u00b1 0.07", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834750, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830182", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETAPENTANE CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830182, "molecule_chembl_id": "CHEMBL1256696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBETAPENTANE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834889", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834889, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Verapamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834613", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834613, "molecule_chembl_id": "CHEMBL4303323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.41", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830187", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2'-B-METHYL-GUANOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830187, "molecule_chembl_id": "CHEMBL418899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-C-METHYLGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829922", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829922, "molecule_chembl_id": "CHEMBL50112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.29", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-IBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834635, "molecule_chembl_id": "CHEMBL88553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1757"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c(/N=N/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834636", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAICALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834636, "molecule_chembl_id": "CHEMBL485818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.36", "alogp": "0.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Baicalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833674", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISAVUCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833674, "molecule_chembl_id": "CHEMBL409153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISAVUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833480", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833480, "molecule_chembl_id": "CHEMBL3697701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-967079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=N\\O)/C(C)=C/c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834815", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834815, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830114", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFENPRODIL TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830114, "molecule_chembl_id": "CHEMBL1256662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IFENPRODIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834816", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834816, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830116", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIGUSTRAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830116, "molecule_chembl_id": "CHEMBL303697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAMETHYLPYRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(C)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830047, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entacapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834909", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834909, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830518", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830518, "molecule_chembl_id": "CHEMBL122622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.39", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUF-5834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835621", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENOGEST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835621, "molecule_chembl_id": "CHEMBL1201864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.42", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dienogest"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835407", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMOSALATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835407, "molecule_chembl_id": "CHEMBL1377575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.35", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,3,5-Trimethylcyclohexyl salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04745", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835510", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHYNODREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835510, "molecule_chembl_id": "CHEMBL1387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "noretynodrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09257", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957131", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957131, "molecule_chembl_id": "CHEMBL4545488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.69", "alogp": "3.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JQEZ5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956949", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956949, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "INDINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961619", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961619, "molecule_chembl_id": "CHEMBL4303449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.44", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ARQ 621"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154337", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.78", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154337, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16730.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154271", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.98", "bao_label": "organism-based format", "molecule_pref_name": "MGCD-265", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154271, "molecule_chembl_id": "CHEMBL254760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.61", "alogp": "5.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MGCD-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1040.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149839, "molecule_chembl_id": "CHEMBL15476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(L)-Lobeline sulfate\u00c2\u00a0(Rec INNM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956827", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956827, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEVIRAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154314", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.59", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154314, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25630.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153752", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153752, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMSACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149251", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149251, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(E)-5-(2-Bromovinyl)-2'-deoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153654", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153654, "molecule_chembl_id": "CHEMBL59532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.32", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-81723"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153753", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOTUBERCIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153753, "molecule_chembl_id": "CHEMBL99203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.15", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Iodotubercidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153461", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153461, "molecule_chembl_id": "CHEMBL1256761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.08", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "palmitoylcarnitine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153463", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153463, "molecule_chembl_id": "CHEMBL379218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-674563"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153464", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153464, "molecule_chembl_id": "CHEMBL473773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.21", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WHI-P154"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148962", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148962, "molecule_chembl_id": "CHEMBL516312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.36", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pim1/AKK1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153475", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153475, "molecule_chembl_id": "CHEMBL2177161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.53", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956590", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956590, "molecule_chembl_id": "CHEMBL3828191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK6853"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963509", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOCARNITINE PROPIONATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963509, "molecule_chembl_id": "CHEMBL2107420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.73", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Levocarnitine propionate (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958770", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISAVUCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958770, "molecule_chembl_id": "CHEMBL409153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isavuconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958359", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958359, "molecule_chembl_id": "CHEMBL1492498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML268"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959066", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959066, "molecule_chembl_id": "CHEMBL259067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID-7969543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.461", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958784", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MALIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958784, "molecule_chembl_id": "CHEMBL1455497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "134.09", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "malic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963133", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963133, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "homoharringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958942", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LETOSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958942, "molecule_chembl_id": "CHEMBL2105044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Letosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CSCCC1NC(C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963068", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963068, "molecule_chembl_id": "CHEMBL483158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.93", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "MLN8237 (Alisertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963219", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MENADIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963219, "molecule_chembl_id": "CHEMBL590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.18", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MENADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962936", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINAPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962936, "molecule_chembl_id": "CHEMBL1592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUINAPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959517", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959517, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nilvadipine (ARC029)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.127", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963312", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-285", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963312, "molecule_chembl_id": "CHEMBL1614725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.97", "alogp": "5.92", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "TAK-285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7563", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959525", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIKETOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959525, "molecule_chembl_id": "CHEMBL2106966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piketoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964136", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENALAPRILAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964136, "molecule_chembl_id": "CHEMBL577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENALAPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.921", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SR-3677", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959537, "molecule_chembl_id": "CHEMBL521179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-3677"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963459", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963459, "molecule_chembl_id": "CHEMBL699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-(?-Hydroxyethyl)theophylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCO)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963460", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963460, "molecule_chembl_id": "CHEMBL3393348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06447475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958460", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TPCK", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958460, "molecule_chembl_id": "CHEMBL60718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tosyl Phenylalanyl Chloromethyl Ketone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959549", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959549, "molecule_chembl_id": "CHEMBL347502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.41", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moguisteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958606", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958606, "molecule_chembl_id": "CHEMBL1712246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "606.78", "alogp": "8.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "fulvestrant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963148", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPYRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963148, "molecule_chembl_id": "CHEMBL3989803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.36", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPYRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961860", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAY-11-7085", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961860, "molecule_chembl_id": "CHEMBL270299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962069", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962069, "molecule_chembl_id": "CHEMBL1688861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "538.57", "alogp": "5.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML-786"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153573", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAZARTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153573, "molecule_chembl_id": "CHEMBL3787344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nazartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959647", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPRATROPIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959647, "molecule_chembl_id": "CHEMBL2134724", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IPRATROPIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.141", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957023", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957023, "molecule_chembl_id": "CHEMBL3623075", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "586.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Orexin 2 Receptor Agonist"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956795", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIPASUDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956795, "molecule_chembl_id": "CHEMBL3426621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.39", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ripasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963961", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963961, "molecule_chembl_id": "CHEMBL504548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.77", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "asenapine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958035", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958035, "molecule_chembl_id": "CHEMBL1389045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.20", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-351603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962245", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHICAGO SKY BLUE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962245, "molecule_chembl_id": "CHEMBL311909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "904.89", "alogp": "6.07", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "chicago-sky-blue-6b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957363, "molecule_chembl_id": "CHEMBL3590107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.69", "alogp": "3.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCH772984"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962043", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CERULENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962043, "molecule_chembl_id": "CHEMBL45627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cerulenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962049", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANASTROZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962049, "molecule_chembl_id": "CHEMBL1399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANASTROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962050", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREGNENOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962050, "molecule_chembl_id": "CHEMBL253363", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PREGNENOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961861", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961861, "molecule_chembl_id": "CHEMBL123904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU-1025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(O)cccc2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957353", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957353, "molecule_chembl_id": "CHEMBL3397300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.03", "alogp": "5.40", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AP26113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957220", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957220, "molecule_chembl_id": "CHEMBL3218011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.38", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RKI-1447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957460", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIFIRAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957460, "molecule_chembl_id": "CHEMBL4209157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.43", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "lifirafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4cc(C(F)(F)F)ccc4[nH]3)ccnc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962059", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPEROZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962059, "molecule_chembl_id": "CHEMBL1257106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.96", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amperozide_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962060", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KAINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962060, "molecule_chembl_id": "CHEMBL275040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.23", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kainic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964414", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964414, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TENATOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154222", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CENICRIVIROC", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154222, "molecule_chembl_id": "CHEMBL2110727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "696.96", "alogp": "8.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CENICRIVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147681", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147681, "molecule_chembl_id": "CHEMBL1256014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.69", "alogp": "-1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-NAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-].Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152191", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152191, "molecule_chembl_id": "CHEMBL83894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.53", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fananserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151245", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDAPAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151245, "molecule_chembl_id": "CHEMBL406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDAPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152207", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WIN-552122", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152207, "molecule_chembl_id": "CHEMBL188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.52", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WIN 55,212-2 (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149632", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149632, "molecule_chembl_id": "CHEMBL1611192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.61", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1cc(O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154277", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.46", "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154277, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3430.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964370", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAY-11-7085", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964370, "molecule_chembl_id": "CHEMBL270299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961001", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961001, "molecule_chembl_id": "CHEMBL255036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A 922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-129.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961003", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "O-DEMETHYLATED ADAPALENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961003, "molecule_chembl_id": "CHEMBL1180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD-437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956229", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956229, "molecule_chembl_id": "CHEMBL1258904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPPU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961334", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUFEXAMAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961334, "molecule_chembl_id": "CHEMBL94394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUFEXAMAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961283", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINTITRIPT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961283, "molecule_chembl_id": "CHEMBL249973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.87", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-27897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.123", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962822", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDARUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962822, "molecule_chembl_id": "CHEMBL1200976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "533.96", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idarubicin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958221", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958221, "molecule_chembl_id": "CHEMBL1898239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.47", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-E 5001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(OC)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829717", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829717, "molecule_chembl_id": "CHEMBL1713992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.43", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRLINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc2c(c1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834420", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMUSTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834420, "molecule_chembl_id": "CHEMBL514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.70", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=NN(CCCl)C(=O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830142", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAREBASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830142, "molecule_chembl_id": "CHEMBL67654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.65", "alogp": "6.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CAREBASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830012", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRIDAMOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830012, "molecule_chembl_id": "CHEMBL932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.64", "alogp": "-0.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DIPYRIDAMOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834715", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "10.67 \u00b1 7.19", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.97", "bao_label": "organism-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834715, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10670.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835442", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBRISENTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835442, "molecule_chembl_id": "CHEMBL1111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ambrisentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06687", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835251", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROPROPIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835251, "molecule_chembl_id": "CHEMBL151445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.32", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "dropropizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835061", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835061, "molecule_chembl_id": "CHEMBL367463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pranoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2215", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835067", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPOXUR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835067, "molecule_chembl_id": "CHEMBL446060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propoxur"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2239", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccccc1OC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835458", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835458, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835069", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTIONAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835069, "molecule_chembl_id": "CHEMBL1378024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.28", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prothionamide (protionamide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830097", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830097, "molecule_chembl_id": "CHEMBL63829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.52", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MEDICA-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830803", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830803, "molecule_chembl_id": "CHEMBL179945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-27219"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834151", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834151, "molecule_chembl_id": "CHEMBL4303436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.76", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SULFANILATE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)O[Zn]OS(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829067", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYTOIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829067, "molecule_chembl_id": "CHEMBL1611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYTOIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829467", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829467, "molecule_chembl_id": "CHEMBL543876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.50", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VANOXERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834173", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834173, "molecule_chembl_id": "CHEMBL4303724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.25", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC[N+]12CN3CN(CN(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834793", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "75.9 \u00b1 54.24", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ADOPRAZINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834793, "molecule_chembl_id": "CHEMBL221692", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ADOPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75900.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835509", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835509, "molecule_chembl_id": "CHEMBL3187229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.60", "alogp": "6.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "norethisterone-enanthate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835512", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOVOBIOCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835512, "molecule_chembl_id": "CHEMBL36506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.63", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Novobiocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09215", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830809", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830809, "molecule_chembl_id": "CHEMBL1200757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "732.68", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PANCURONIUM DIBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830812", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830812, "molecule_chembl_id": "CHEMBL359632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.19", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNJ-10397049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@H](c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834418", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834418, "molecule_chembl_id": "CHEMBL448805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXTROSE (D-GLUCOSE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834847", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834847, "molecule_chembl_id": "CHEMBL1368758", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "408.29", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834436", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834436, "molecule_chembl_id": "CHEMBL4303622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.29", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PR-619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CSc1cc(SC#N)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830096", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATININE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830096, "molecule_chembl_id": "CHEMBL65567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.12", "alogp": "-1.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CREATININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N=C1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830845", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830845, "molecule_chembl_id": "CHEMBL1715107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.85", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUFLOMEDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829343", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAMAZEPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829343, "molecule_chembl_id": "CHEMBL108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBAMAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829047", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829047, "molecule_chembl_id": "CHEMBL8", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830189", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROMIDIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830189, "molecule_chembl_id": "CHEMBL311350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROMIDIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834896", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834896, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Verapamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834899", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834899, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834526", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834526, "molecule_chembl_id": "CHEMBL4303319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SNG-1153"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(C(F)(F)F)cc3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829834", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOE-EMODIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829834, "molecule_chembl_id": "CHEMBL40275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALOE-EMODIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834534", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834534, "molecule_chembl_id": "CHEMBL4303536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "-0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCOPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829836", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZOGABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829836, "molecule_chembl_id": "CHEMBL41355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.34", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RETIGABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARTEOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829839, "molecule_chembl_id": "CHEMBL1201002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.84", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARTEOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834641", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834641, "molecule_chembl_id": "CHEMBL4303659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SA-47"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)COC(=O)NCCC1CCN(c2cccc(C)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834649", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834649, "molecule_chembl_id": "CHEMBL3191466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPA-124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1coc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828778", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTECAVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828778, "molecule_chembl_id": "CHEMBL713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entecavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1011", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834046", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAXAGLIPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834046, "molecule_chembl_id": "CHEMBL385517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.42", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAXAGLIPTIN (BMS-477118,ONGLYZA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829829", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829829, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-28.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835532", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXICONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835532, "molecule_chembl_id": "CHEMBL1262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.13", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "oxiconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1067", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833681", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGLUMETACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833681, "molecule_chembl_id": "CHEMBL2105825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "844.45", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "PROGLUMETACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148834", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROBUTANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148834, "molecule_chembl_id": "CHEMBL1439973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.46", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROBUTANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148933", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148933, "molecule_chembl_id": "CHEMBL1506885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "reversan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148936", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAICALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148936, "molecule_chembl_id": "CHEMBL485818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.36", "alogp": "0.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Baicalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153439", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153439, "molecule_chembl_id": "CHEMBL181633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.37", "alogp": "4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-630; Iodopravadoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148937", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148937, "molecule_chembl_id": "CHEMBL321820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.62", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD123319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148939", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPEROZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148939, "molecule_chembl_id": "CHEMBL1257106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.96", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amperozide_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152376", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOBILETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152376, "molecule_chembl_id": "CHEMBL76447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.40", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nobiletin (Hexamethoxyflavone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147872", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROTERENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147872, "molecule_chembl_id": "CHEMBL434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rac-isoprenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148068", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148068, "molecule_chembl_id": "CHEMBL2107381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.31", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Uridine triacetate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152583", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152583, "molecule_chembl_id": "CHEMBL2385597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153742", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153742, "molecule_chembl_id": "CHEMBL1241028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.93", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148602", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148602, "molecule_chembl_id": "CHEMBL69367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148515", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148515, "molecule_chembl_id": "CHEMBL127123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/N=C(\\C)Nc2ccc(OCC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150849", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150849, "molecule_chembl_id": "CHEMBL193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246963"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146353", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUBSTANCE P", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146353, "molecule_chembl_id": "CHEMBL235363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1347.66", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "substance-p"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153327", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153327, "molecule_chembl_id": "CHEMBL4303642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1882.33", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "GRAMICIDIN (gramicidin A shown)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153061", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASTAXANTHIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153061, "molecule_chembl_id": "CHEMBL1255871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.85", "alogp": "8.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "astaxanthin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148559, "molecule_chembl_id": "CHEMBL463978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.97", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT 2733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152652", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMSYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152652, "molecule_chembl_id": "CHEMBL1514715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.31", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethamsylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC.O=S(=O)(O)c1cc(O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148035", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIOFUR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148035, "molecule_chembl_id": "CHEMBL2106486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.04", "alogp": "0.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFTIOFUR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150654", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150654, "molecule_chembl_id": "CHEMBL1095008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.03", "alogp": "2.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Ginsenoside Rg3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153175", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153175, "molecule_chembl_id": "CHEMBL1078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM002548940"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152771", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152771, "molecule_chembl_id": "CHEMBL3940387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.62", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2857785"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148897", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148897, "molecule_chembl_id": "CHEMBL42661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2F)[nH]c(N)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153331", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMOCAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153331, "molecule_chembl_id": "CHEMBL1407844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erbocain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153057", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALACYCLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153057, "molecule_chembl_id": "CHEMBL1201110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.80", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALACYCLOVIR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145963", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145963, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146371", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOXIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146371, "molecule_chembl_id": "CHEMBL571209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-Methyl-D-tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150115", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERISETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150115, "molecule_chembl_id": "CHEMBL56900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.39", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lerisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150119", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150119, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHEXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151594", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151594, "molecule_chembl_id": "CHEMBL3586089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.57", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152964", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152964, "molecule_chembl_id": "CHEMBL1938952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.37", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S1P1 Agonist III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148376", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORAPAXAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148376, "molecule_chembl_id": "CHEMBL493982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.59", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "vorapaxar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148639", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148639, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tretinoin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153218", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZETIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153218, "molecule_chembl_id": "CHEMBL10272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levetimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150884", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150884, "molecule_chembl_id": "CHEMBL4303171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX02188"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150945", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCERYL MONOSTEARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150945, "molecule_chembl_id": "CHEMBL255696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.56", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Monostearin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152901", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFASUCCINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152901, "molecule_chembl_id": "CHEMBL2107036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.28", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFASUCCINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145602", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPARGAMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145602, "molecule_chembl_id": "CHEMBL1082723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.25", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cipargamin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148599", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148599, "molecule_chembl_id": "CHEMBL3128207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.18", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148601", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFENPRODIL TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148601, "molecule_chembl_id": "CHEMBL1256662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ifenprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150655", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150655, "molecule_chembl_id": "CHEMBL88612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148615", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148615, "molecule_chembl_id": "CHEMBL23588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.23", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148574", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148574, "molecule_chembl_id": "CHEMBL3093392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.34", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XEN445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ccccn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153125", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASIGLIFAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153125, "molecule_chembl_id": "CHEMBL1829174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.64", "alogp": "5.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TAK-875"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146852", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTRAZURIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146852, "molecule_chembl_id": "CHEMBL2104931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.39", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLTRAZURIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151363", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151363, "molecule_chembl_id": "CHEMBL371315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.30", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trofinetide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152097", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152097, "molecule_chembl_id": "CHEMBL1256364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.34", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Phenyl-3-(2-thiazolyl)-2-thiourea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(Nc1ccccc1)Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963003", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORTICOSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963003, "molecule_chembl_id": "CHEMBL110739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "corticosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151373", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151373, "molecule_chembl_id": "CHEMBL1518173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2cc(C3=NCCN3)ncc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146782", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146782, "molecule_chembl_id": "CHEMBL1514276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.69", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-45041-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc2c1CN(C1=NCCN1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147481", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147481, "molecule_chembl_id": "CHEMBL184074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.74", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ZK-164015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147505", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILDENAFIL CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147505, "molecule_chembl_id": "CHEMBL1737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "666.71", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILDENAFIL CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147315", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIMAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147315, "molecule_chembl_id": "CHEMBL508102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)n1ccn(C)c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152001", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLOFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152001, "molecule_chembl_id": "CHEMBL52333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "KW-3902"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151442", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITRENDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151442, "molecule_chembl_id": "CHEMBL475534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITRENDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151450", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORCETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151450, "molecule_chembl_id": "CHEMBL479527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "600.48", "alogp": "8.20", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TORCETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147833", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147833, "molecule_chembl_id": "CHEMBL598270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.18", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "clofilium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147704", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147704, "molecule_chembl_id": "CHEMBL178240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZIDOVUDINE [AZT]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152341", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENTICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152341, "molecule_chembl_id": "CHEMBL2107703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "7.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fenticonazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147709", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147709, "molecule_chembl_id": "CHEMBL477936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.36", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 74859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152345", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLIFENACIN SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152345, "molecule_chembl_id": "CHEMBL1200803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.56", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOLIFENACIN SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152011", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFACITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152011, "molecule_chembl_id": "CHEMBL221959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.38", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tofacitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151254", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SR-2640", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151254, "molecule_chembl_id": "CHEMBL18132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-2640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146751", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146751, "molecule_chembl_id": "CHEMBL1256850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.34", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147838", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147838, "molecule_chembl_id": "CHEMBL1391203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.91", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-381509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152220", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDACLOPRID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152220, "molecule_chembl_id": "CHEMBL406819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.66", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMIDACLOPRID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152252", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152252, "molecule_chembl_id": "CHEMBL216543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indirubin-3-monoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153898", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153898, "molecule_chembl_id": "CHEMBL3039191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIGOXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)C6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)C6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153899", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153899, "molecule_chembl_id": "CHEMBL45177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-419259"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149478", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAL PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149478, "molecule_chembl_id": "CHEMBL82202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.14", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(COP(=O)(O)O)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154311", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.00", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154311, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149486", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAPIPRANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149486, "molecule_chembl_id": "CHEMBL3039498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.62", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GRAPIPRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149487", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTIRELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149487, "molecule_chembl_id": "CHEMBL2107016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALTIRELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153992", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153992, "molecule_chembl_id": "CHEMBL1553978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.12", "alogp": "7.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benzyldimethylhexadecylammonium chloride hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149493", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149493, "molecule_chembl_id": "CHEMBL3970748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD4770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154484", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154484, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153867", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153867, "molecule_chembl_id": "CHEMBL4522182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.13", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CID54189144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CONC(=Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149905", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149905, "molecule_chembl_id": "CHEMBL4303576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.49", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nibentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149793", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149793, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipriflavone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149909", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149909, "molecule_chembl_id": "CHEMBL462997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149912", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149912, "molecule_chembl_id": "CHEMBL1579066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dithranol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cc3cccc(O)c3c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153291", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153291, "molecule_chembl_id": "CHEMBL1200795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.97", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148789", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148789, "molecule_chembl_id": "CHEMBL590022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.29", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2ccc(-c3ccc(F)cc3)o2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154307", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.60", "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154307, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib (BAY 73-4506)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154500", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154500, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10020.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153231", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-6482", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153231, "molecule_chembl_id": "CHEMBL2165191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD6482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153235", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153235, "molecule_chembl_id": "CHEMBL1611300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.55", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-625858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148731", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148731, "molecule_chembl_id": "CHEMBL3277499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.89", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzyldimethyloctylammonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153243", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153243, "molecule_chembl_id": "CHEMBL295413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naltriben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152749", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152749, "molecule_chembl_id": "CHEMBL1561725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-626122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NC2=NCCC2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153881, "molecule_chembl_id": "CHEMBL1197556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.45", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "decynium 22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145887", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "rel-RITODRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145887, "molecule_chembl_id": "CHEMBL489553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ritodrine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146391", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146391, "molecule_chembl_id": "CHEMBL4303409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.32", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzenemethanol;-2;5-dimethyl-[[(1-methylethyl)amino]methyl]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(C(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150547", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150547, "molecule_chembl_id": "CHEMBL198159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diarylpropionitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145804", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145804, "molecule_chembl_id": "CHEMBL4303293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145558", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145558, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145561", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145561, "molecule_chembl_id": "CHEMBL3901539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "658.71", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Flumatinib (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145664", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IGMESINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145664, "molecule_chembl_id": "CHEMBL2104866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.95", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "igmesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146612", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALDARIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146612, "molecule_chembl_id": "CHEMBL1474352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zaldaride maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150746", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFACTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150746, "molecule_chembl_id": "CHEMBL3137331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.50", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DEFACTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146609", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSIGLITAZONE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146609, "molecule_chembl_id": "CHEMBL843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.51", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSIGLITAZONE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145829", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NERATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145829, "molecule_chembl_id": "CHEMBL180022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.05", "alogp": "5.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NERATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149821", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149821, "molecule_chembl_id": "CHEMBL1807053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.41", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NGD-98-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150091", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150091, "molecule_chembl_id": "CHEMBL66654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C#Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154171", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154171, "molecule_chembl_id": "CHEMBL4303523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.00", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148530", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148530, "molecule_chembl_id": "CHEMBL376379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bemesetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149759", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149759, "molecule_chembl_id": "CHEMBL4303423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.55", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "17-PA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154269", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.50", "bao_label": "organism-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154269, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "320.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154341", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.57", "bao_label": "organism-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154341, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2670.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149769", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149769, "molecule_chembl_id": "CHEMBL99344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.43", "alogp": "6.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PACOCF3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149635, "molecule_chembl_id": "CHEMBL1256663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY310762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149640", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIPIMOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149640, "molecule_chembl_id": "CHEMBL345714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACIPIMOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)O)c[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149380", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEATANNOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149380, "molecule_chembl_id": "CHEMBL69863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piceatannol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153023", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153023, "molecule_chembl_id": "CHEMBL1479316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.16", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-3852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149653", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERCIRNON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149653, "molecule_chembl_id": "CHEMBL2178578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.94", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vercirnon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149312", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149312, "molecule_chembl_id": "CHEMBL1269896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.49", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 34 [PMID: 20866075]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150243", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150243, "molecule_chembl_id": "CHEMBL364005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD-386088"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152914", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFAPIXANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152914, "molecule_chembl_id": "CHEMBL3716057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GEFAPIXANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154150", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154150, "molecule_chembl_id": "CHEMBL1617166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.46", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD120665"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(Br)cc3)[n+](C)c3ccccc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154176", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIBEFRADIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154176, "molecule_chembl_id": "CHEMBL45816", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.64", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mibefradil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154162", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154162, "molecule_chembl_id": "CHEMBL3039196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1131.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ESCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(CO)C(CC1(C)C)C1=CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154165", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALEXIDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154165, "molecule_chembl_id": "CHEMBL554041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.73", "alogp": "4.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Alexidine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149665", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GS-39783", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149665, "molecule_chembl_id": "CHEMBL392394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS 39783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOSALICYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149881, "molecule_chembl_id": "CHEMBL119888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.19", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "o-mercapto-benzoic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153380", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153380, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORQUINALDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146204", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146204, "molecule_chembl_id": "CHEMBL3617655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.80", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0650786"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150529", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OROTIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150529, "molecule_chembl_id": "CHEMBL1235017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Orotic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146110", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146110, "molecule_chembl_id": "CHEMBL3348842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.67", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyclovirobuxin D (Bebuxine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146197", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146197, "molecule_chembl_id": "CHEMBL4303326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1541.55", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "hydroxypropyl-beta-cyclodextrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)COC[C@H]1OC2O[C@@H]3[C@@H](COCC(C)O)OC(O[C@@H]4[C@@H](COCC(C)O)OC(O[C@@H]5[C@@H](COCC(C)O)OC(O[C@@H]6[C@@H](COCC(C)O)OC(O[C@@H]7[C@@H](COCC(C)O)OC(O[C@@H]8[C@@H](COCC(C)O)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145753", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145753, "molecule_chembl_id": "CHEMBL186063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mabuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NCCO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145768", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145768, "molecule_chembl_id": "CHEMBL391586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.20", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-PIM-1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151145", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151145, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diethylstilbestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145705", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN AG 879", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145705, "molecule_chembl_id": "CHEMBL539947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.47", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 879 (AG 879)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145713", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALTROBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145713, "molecule_chembl_id": "CHEMBL71685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.83", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "daltroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145577", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145577, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145580", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145580, "molecule_chembl_id": "CHEMBL1483341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "azapropazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H]1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145582", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145582, "molecule_chembl_id": "CHEMBL4303347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.60", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AT-1015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CN1CCC(C(=O)NCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146007", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146007, "molecule_chembl_id": "CHEMBL2424812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.38", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-E-5002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCN(O)C(=O)CCCCCCCCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145524", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145524, "molecule_chembl_id": "CHEMBL149201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-16f"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145529", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145529, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145531", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145531, "molecule_chembl_id": "CHEMBL4303620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.55", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrintegrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCC1CC1)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145875", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145875, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir sulfate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145521", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145521, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145861", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOPABATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145861, "molecule_chembl_id": "CHEMBL458769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHOPABATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(NC(C)=O)ccc1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153605", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INGENOL MEBUTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153605, "molecule_chembl_id": "CHEMBL1863513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ingenol Mebutate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149105", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAPENTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149105, "molecule_chembl_id": "CHEMBL940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GABAPENTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145586", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145586, "molecule_chembl_id": "CHEMBL3666807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.63", "alogp": "4.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD7594"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154226", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.83", "bao_label": "organism-based format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154226, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CHIR-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150705", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150705, "molecule_chembl_id": "CHEMBL3417704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "850.05", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "A-1210477"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146104", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146104, "molecule_chembl_id": "CHEMBL4303387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.30", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK-962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146033", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNISOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146033, "molecule_chembl_id": "CHEMBL1512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flunisolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145725", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145725, "molecule_chembl_id": "CHEMBL3687538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.47", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-2099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145855", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145855, "molecule_chembl_id": "CHEMBL3828043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.81", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-299864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1C2CC=CC2c2cc(Cl)cc3c2N1CC1CC=CC31", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145857", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145857, "molecule_chembl_id": "CHEMBL3604793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LJH685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3ccncc3-c3cc(F)c(O)c(F)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145537", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPHAZOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145537, "molecule_chembl_id": "CHEMBL761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPHAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145590", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145590, "molecule_chembl_id": "CHEMBL3989803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.36", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPYRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145592", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAROZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145592, "molecule_chembl_id": "CHEMBL459505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.52", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Talarozole (R enantiomer)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145615", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145615, "molecule_chembl_id": "CHEMBL58510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROQUINE DIPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150910", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150910, "molecule_chembl_id": "CHEMBL36326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.45", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-144053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154496", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154496, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150941", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR DISOPROXIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150941, "molecule_chembl_id": "CHEMBL1538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.45", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tenofovir Disoproxil Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151015", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALETERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151015, "molecule_chembl_id": "CHEMBL2105738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.56", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GALETERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146523", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFOSCERIL PALMITATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146523, "molecule_chembl_id": "CHEMBL1200737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "734.05", "alogp": "10.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "colfosceril-palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146414", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREMELANOTIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146414, "molecule_chembl_id": "CHEMBL2070241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1025.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bremelanotide (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146417", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146417, "molecule_chembl_id": "CHEMBL4303210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.31", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-T12-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(C(F)(F)F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146125", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPHENIDATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146125, "molecule_chembl_id": "CHEMBL1722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.77", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPHENIDATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(c1ccccc1)C1CCCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145840", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145840, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CELECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145841", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145841, "molecule_chembl_id": "CHEMBL3769507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.56", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BRD9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150446", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIS(ETHYL)SPERMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150446, "molecule_chembl_id": "CHEMBL18794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.45", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1;12-Besm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCCCNCCCCNCCCNCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148346", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8835", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148346, "molecule_chembl_id": "CHEMBL3894518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD-8835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151147", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151147, "molecule_chembl_id": "CHEMBL1732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "583.69", "alogp": "2.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "dihydroergotamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146645", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CISPLATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146645, "molecule_chembl_id": "CHEMBL2068237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CISPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146037", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE BUTYRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146037, "molecule_chembl_id": "CHEMBL1683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.56", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydrocortisone 17-butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150781", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AES-103", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150781, "molecule_chembl_id": "CHEMBL185885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-(Hydroxymethyl)furan-2-carbaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145541", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145541, "molecule_chembl_id": "CHEMBL2058533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TUG-891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145810", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145810, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PKC-412 (Midostaurin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153993", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISPINESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153993, "molecule_chembl_id": "CHEMBL228814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Ispinesib (SB-715992)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153995", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153995, "molecule_chembl_id": "CHEMBL3780497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.52", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MI-136"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153996", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153996, "molecule_chembl_id": "CHEMBL1153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Digoxigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154400", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154400, "molecule_chembl_id": "CHEMBL20066", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ER-50891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149900", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACCHARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149900, "molecule_chembl_id": "CHEMBL310671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.19", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Saccharin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NS(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154404", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUMATINIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154404, "molecule_chembl_id": "CHEMBL3545413", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "562.60", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Flumatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149903", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIVALIRUDIN TRIFLUOROACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149903, "molecule_chembl_id": "CHEMBL3989957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "2408.36", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Bivalirudin (Trifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154486", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154486, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TILORONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3080.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146012", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146012, "molecule_chembl_id": "CHEMBL4303307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.06", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "pyrvinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153018", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153018, "molecule_chembl_id": "CHEMBL192316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tipifarnib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148402", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYAMEMAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148402, "molecule_chembl_id": "CHEMBL2104153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.47", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyamemazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152785", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152785, "molecule_chembl_id": "CHEMBL4303619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.48", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "c-Kit-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cc(Oc3cc(F)c(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152675", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152675, "molecule_chembl_id": "CHEMBL543876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.50", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "vanoxerine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146752", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISUFENTON SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146752, "molecule_chembl_id": "CHEMBL1627056", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.34", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NXY-059 (Disufenton sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146753", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146753, "molecule_chembl_id": "CHEMBL4226052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "923.45", "alogp": "5.77", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ARV-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146754", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146754, "molecule_chembl_id": "CHEMBL4472508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.54", "alogp": "6.57", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cintirorgon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(OC(F)F)c3)ccc2O1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151258", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151258, "molecule_chembl_id": "CHEMBL1316368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.38", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Articaine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146755", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIZOCILPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146755, "molecule_chembl_id": "CHEMBL284237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dizocilpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12N[C@H](Cc3ccccc31)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146762", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENIPOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146762, "molecule_chembl_id": "CHEMBL452231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.66", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "teniposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151266", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "U-0126", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151266, "molecule_chembl_id": "CHEMBL100473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151272", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151272, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Befol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146770", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146770, "molecule_chembl_id": "CHEMBL28", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151274", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMETHASONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151274, "molecule_chembl_id": "CHEMBL1201392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flumethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151278", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151278, "molecule_chembl_id": "CHEMBL1714528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.83", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINDANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147803", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147803, "molecule_chembl_id": "CHEMBL277927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SK&F-10047-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147809", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDARUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147809, "molecule_chembl_id": "CHEMBL1117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.50", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ML069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147814", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETAZOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147814, "molecule_chembl_id": "CHEMBL1256671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.80", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etazolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147815", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147815, "molecule_chembl_id": "CHEMBL284895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.11", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ibotenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152326", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152326, "molecule_chembl_id": "CHEMBL178090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 39a [PMID: 15634016]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccc(-c2cccnc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147822", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERINDOPRIL ERBUMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147822, "molecule_chembl_id": "CHEMBL1200343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.61", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERINDOPRIL ERBUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147829", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRAPAZAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147829, "molecule_chembl_id": "CHEMBL50882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.15", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tirapazamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963174", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963174, "molecule_chembl_id": "CHEMBL288114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.12", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "59.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147948", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZATIOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147948, "molecule_chembl_id": "CHEMBL2110585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.66", "alogp": "2.50", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Ezatiostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152457", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152457, "molecule_chembl_id": "CHEMBL1312935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.37", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-324168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146827", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIXANTHOGEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146827, "molecule_chembl_id": "CHEMBL331743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.41", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dixanthogen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=S)SSC(=S)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147961", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISAMOLTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147961, "molecule_chembl_id": "CHEMBL27077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isamoltane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccccc1-n1cccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152465", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIPONIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152465, "molecule_chembl_id": "CHEMBL2336071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "6.77", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BAF312 (Siponimod)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151334", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151334, "molecule_chembl_id": "CHEMBL522618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.39", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146832", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146832, "molecule_chembl_id": "CHEMBL86313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.12", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-78608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCc1cc(Br)cc2nc(O)c(O)nc12)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151336", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETANAPHTHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151336, "molecule_chembl_id": "CHEMBL14126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.17", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Naphthol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152471", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152471, "molecule_chembl_id": "CHEMBL1213887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.36", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monastrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152472", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152472, "molecule_chembl_id": "CHEMBL327002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.69", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WAY-170523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(C(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147479", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALROCEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147479, "molecule_chembl_id": "CHEMBL471638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valrocemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151431", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151431, "molecule_chembl_id": "CHEMBL391574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS057278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)O)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151987", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIPOIC ACID, ALPHA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151987, "molecule_chembl_id": "CHEMBL33864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lipoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146068", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146068, "molecule_chembl_id": "CHEMBL436559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.35", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARIPORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152014", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152014, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146997", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHYLDIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146997, "molecule_chembl_id": "CHEMBL1722501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHYLDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)C=CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146217", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIFLUORFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146217, "molecule_chembl_id": "CHEMBL222440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.66", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACIFLUORFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150412", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXOLINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150412, "molecule_chembl_id": "CHEMBL416755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.23", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOLINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145917", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145917, "molecule_chembl_id": "CHEMBL2181247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.37", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPBAR-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2nccc(-c3ccccc3F)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146036", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146036, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RISPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145731", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LENVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145731, "molecule_chembl_id": "CHEMBL1289601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "E7080 (Lenvatinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145744", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MASLINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145744, "molecule_chembl_id": "CHEMBL201515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MASLINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145751", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145751, "molecule_chembl_id": "CHEMBL4065484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.41", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EED226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148176", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148176, "molecule_chembl_id": "CHEMBL398412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.03", "alogp": "2.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ginsenoside Rg3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147383", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147383, "molecule_chembl_id": "CHEMBL1569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMANTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151892", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TMC-647055", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151892, "molecule_chembl_id": "CHEMBL2043025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.75", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TMC647055 (Choline salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152692", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCILLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152692, "molecule_chembl_id": "CHEMBL80830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.32", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Bucillamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152699", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRABENAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152699, "molecule_chembl_id": "CHEMBL117785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tetrabenazine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151973", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151973, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moclobemide (Ro 111163)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147469", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMAPUNIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147469, "molecule_chembl_id": "CHEMBL513922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Emapunil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151975", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151975, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151980", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGS-21680", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151980, "molecule_chembl_id": "CHEMBL331372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGS 21680"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151981", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBUPIVACAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151981, "molecule_chembl_id": "CHEMBL1201193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.44", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levobupivacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151982", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALMETEROL XINAFOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151982, "molecule_chembl_id": "CHEMBL1082607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.76", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salmeterol (xinafoate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152021", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152021, "molecule_chembl_id": "CHEMBL575122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TNP-470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147559", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMILORIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147559, "molecule_chembl_id": "CHEMBL1398126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.12", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMILORIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146734", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CI-218872", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146734, "molecule_chembl_id": "CHEMBL13662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.24", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-218872"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146578", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESAPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146578, "molecule_chembl_id": "CHEMBL1983100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.34", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "esaprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCNCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147007", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147007, "molecule_chembl_id": "CHEMBL3287735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147502", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147502, "molecule_chembl_id": "CHEMBL4542250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.35", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methiopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152009", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152009, "molecule_chembl_id": "CHEMBL4303601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-4817"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152017", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEVIMELINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152017, "molecule_chembl_id": "CHEMBL2218917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.79", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cevimeline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1OC2(CS1)CN1CCC2CC1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152666", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152666, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clevidipine Butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151349", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALANTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151349, "molecule_chembl_id": "CHEMBL659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GALANTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146847", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146847, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-methoxyestradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148151", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148151, "molecule_chembl_id": "CHEMBL1082462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBPR108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147364", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLURANDRENOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147364, "molecule_chembl_id": "CHEMBL1201012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.52", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLURANDRENOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147000", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147000, "molecule_chembl_id": "CHEMBL174588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-16259685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151503", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SU-9516", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151503, "molecule_chembl_id": "CHEMBL258805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SU9516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145826", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145826, "molecule_chembl_id": "CHEMBL1256573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.72", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-hydroxysaclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(O)(CS(=O)(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146231", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPHEDRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146231, "molecule_chembl_id": "CHEMBL2146102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPHEDRINE (1R;2S) HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146174", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146174, "molecule_chembl_id": "CHEMBL562308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.57", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-10606120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCNCCO)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145630", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TULOBUTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145630, "molecule_chembl_id": "CHEMBL1159717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.74", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)Tulobuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145901", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145901, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Befol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150457", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LONIDAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150457, "molecule_chembl_id": "CHEMBL1257030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.16", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "lonidamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145805", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEGUATRIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145805, "molecule_chembl_id": "CHEMBL339133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.18", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lomeguatrib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145822", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISONIAZID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145822, "molecule_chembl_id": "CHEMBL64", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145551", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145551, "molecule_chembl_id": "CHEMBL4303151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT4165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=Cc2cccnc2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154495", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154495, "molecule_chembl_id": "CHEMBL365141", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "387.61", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "U-18666A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3430.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151143", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOBRAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151143, "molecule_chembl_id": "CHEMBL1747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.52", "alogp": "-6.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TOBRAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150658", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150658, "molecule_chembl_id": "CHEMBL1200590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MECLIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145771", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145771, "molecule_chembl_id": "CHEMBL4303561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.22", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2cccnc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149672", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149672, "molecule_chembl_id": "CHEMBL4303551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Bismuth Subcitrate Potassium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145791", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145791, "molecule_chembl_id": "CHEMBL1591531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.67", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bisindolylmaleimide-ix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153840", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153840, "molecule_chembl_id": "CHEMBL469045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.50", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(E/Z)-ISTAROXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148783", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIAPENEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148783, "molecule_chembl_id": "CHEMBL285347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "-1.89", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Biapenem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148786", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+/-)NICOTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148786, "molecule_chembl_id": "CHEMBL440464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICOTINE BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153796", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153796, "molecule_chembl_id": "CHEMBL225519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-767491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCc2[nH]c(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149098", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFENAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149098, "molecule_chembl_id": "CHEMBL1451633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150680", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LENVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150680, "molecule_chembl_id": "CHEMBL1289601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "E7080 (Lenvatinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146170", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146170, "molecule_chembl_id": "CHEMBL4303604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.54", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIS3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145903", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145903, "molecule_chembl_id": "CHEMBL4303565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.96", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Calhex-231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151121", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN KAMEDOXOMIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151121, "molecule_chembl_id": "CHEMBL2103795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.63", "alogp": "4.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AZILSARTAN MEDOXOMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146394", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOFLUPREDONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146394, "molecule_chembl_id": "CHEMBL1608183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.48", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoflupredone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150901", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2,4-DISULFAMYLTRIFLUOROMETHYLANILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150901, "molecule_chembl_id": "CHEMBL418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.29", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 44625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146514", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146514, "molecule_chembl_id": "CHEMBL370962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bay 60-7550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nc(O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146440", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFADROXIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146440, "molecule_chembl_id": "CHEMBL1644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFADROXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151022", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN 5'-PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151022, "molecule_chembl_id": "CHEMBL1201794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.35", "alogp": "-1.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Riboflavin 5'-phosphate sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150067", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARAVIROC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150067, "molecule_chembl_id": "CHEMBL1201187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Maraviroc\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150251", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150251, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Zanamivir (Relenza)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149404", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BQ-123", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149404, "molecule_chembl_id": "CHEMBL1269102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BQ-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153985", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEDRATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153985, "molecule_chembl_id": "CHEMBL1287853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.69", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fedratinib hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154508", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154508, "molecule_chembl_id": "CHEMBL601661", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "519.61", "alogp": "3.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-125132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "180.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149489", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOBENZOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149489, "molecule_chembl_id": "CHEMBL542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aminobenzoate potassium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150150", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150150, "molecule_chembl_id": "CHEMBL2022156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFRONYL OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150152", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150152, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDARAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154656", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154656, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETYLPYRIDINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153876, "molecule_chembl_id": "CHEMBL2003538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.01", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CETYLPYRIDINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149384", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMIVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149384, "molecule_chembl_id": "CHEMBL141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMIVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153198", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153198, "molecule_chembl_id": "CHEMBL560895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.49", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNX-2112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149876", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXALDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149876, "molecule_chembl_id": "CHEMBL2104247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.09", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BROXALDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148503", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFTOPIDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148503, "molecule_chembl_id": "CHEMBL142635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFTOPIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148691", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148691, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LISINOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149662", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IGURATIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149662, "molecule_chembl_id": "CHEMBL2107455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iguratimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146102", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146102, "molecule_chembl_id": "CHEMBL4303407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Titanocene dichloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150709", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICARTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150709, "molecule_chembl_id": "CHEMBL100424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.38", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "picartamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=C(\\S)C1(c2ccccn2)CCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146115", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146115, "molecule_chembl_id": "CHEMBL1526434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-hydroxy-phenazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145496", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145496, "molecule_chembl_id": "CHEMBL564131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.90", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cathepsin Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145508", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145508, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145519", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145519, "molecule_chembl_id": "CHEMBL1562779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KD-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150626", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150626, "molecule_chembl_id": "CHEMBL3823931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atglistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146481", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146481, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Uridine triphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146038", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOGLIPTIN BENZOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146038, "molecule_chembl_id": "CHEMBL227529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.52", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOGLIPTIN BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146558", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146558, "molecule_chembl_id": "CHEMBL1486475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.30", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifurtimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146567", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146567, "molecule_chembl_id": "CHEMBL510698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.67", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-0070907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151072", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-285", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151072, "molecule_chembl_id": "CHEMBL1614725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.97", "alogp": "5.92", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "TAK-285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146569", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERFLUBRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146569, "molecule_chembl_id": "CHEMBL1200866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.96", "alogp": "6.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1-Bromoperfluorooctane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145778", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145778, "molecule_chembl_id": "CHEMBL584991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.64", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO5L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150970", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150970, "molecule_chembl_id": "CHEMBL1753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.99", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clindamycin hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153863", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEDIRANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153863, "molecule_chembl_id": "CHEMBL491473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CEDIRANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149330", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149330, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI4KIIIbeta-IN-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149898", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149898, "molecule_chembl_id": "CHEMBL284782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-37344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149902", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149902, "molecule_chembl_id": "CHEMBL1113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOXAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149059", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALECTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149059, "molecule_chembl_id": "CHEMBL1738797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALECTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150278", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-METHYL-D-ASPARTIC ACID (NMDA)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150278, "molecule_chembl_id": "CHEMBL291278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NMDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148881", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCOPYRRONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148881, "molecule_chembl_id": "CHEMBL1201335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.44", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYCOPYRROLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154647", "_score": 6.4354205, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154647, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOCARBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153868", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153868, "molecule_chembl_id": "CHEMBL4573312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.56", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isofloxythepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154122", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154122, "molecule_chembl_id": "CHEMBL1720907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.66", "alogp": "-1.51", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "OUABAIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149620", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SISOMICIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149620, "molecule_chembl_id": "CHEMBL2146085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.61", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SISOMICIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148685", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIPENAMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148685, "molecule_chembl_id": "CHEMBL310160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.35", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bipenamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1Sc1ccccc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149771", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149771, "molecule_chembl_id": "CHEMBL4303148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.18", "alogp": "-4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sodium Glucoheptonate Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154274", "_score": 6.4354205, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.50", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154274, "molecule_chembl_id": "CHEMBL2144958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149460", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149460, "molecule_chembl_id": "CHEMBL3039407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.97", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Halcinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@]2(C(=O)CCl)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149469", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIDOFOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149469, "molecule_chembl_id": "CHEMBL152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cidofovir (Vistide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149107", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAN-190", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149107, "molecule_chembl_id": "CHEMBL8618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.49", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAN-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146491", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146491, "molecule_chembl_id": "CHEMBL440687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145641", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSPODAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145641, "molecule_chembl_id": "CHEMBL1086218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1214.65", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Valspodar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146126", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERCIPRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146126, "molecule_chembl_id": "CHEMBL2107617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.48", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terciprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150726", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150726, "molecule_chembl_id": "CHEMBL1234574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CK-636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146131", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146131, "molecule_chembl_id": "CHEMBL3355059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MELK-TI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccc2c(c1)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145880", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEGACESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145880, "molecule_chembl_id": "CHEMBL463981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.74", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "begacestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145799", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145799, "molecule_chembl_id": "CHEMBL4162576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.20", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0422288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145955", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145955, "molecule_chembl_id": "CHEMBL792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.11", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "uric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(O)c2nc(O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145666", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145666, "molecule_chembl_id": "CHEMBL3393171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thienopyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145882", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145882, "molecule_chembl_id": "CHEMBL1642655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-ASK-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145889", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICYCLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145889, "molecule_chembl_id": "CHEMBL482035", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.34", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "bicyclol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(CO)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145890", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145890, "molecule_chembl_id": "CHEMBL4303668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.18", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-mimosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CN1C=CC(=O)C(=O)C1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150493", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150493, "molecule_chembl_id": "CHEMBL1475038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.42", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "arecaidine-propargyl-ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCOC(=O)C1=CCCN(C)C1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145894", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145894, "molecule_chembl_id": "CHEMBL395336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.21", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclic GMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146635", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-BENZYLAMINOPURINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146635, "molecule_chembl_id": "CHEMBL228862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-benzylaminopurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2ncnc3[nH]cnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150784", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150784, "molecule_chembl_id": "CHEMBL4303546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.85", "alogp": "4.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCR-1481B1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(Oc2ccc(NC(=O)c3cn(COP(=O)(O)O)cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150839", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DL-ANABASINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150839, "molecule_chembl_id": "CHEMBL280963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anabasine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(C2CCCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145793", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANSTORINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145793, "molecule_chembl_id": "CHEMBL299155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "kynurenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150238", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETAPENTANE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150238, "molecule_chembl_id": "CHEMBL1256696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBETAPENTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153902", "_score": 6.4354205, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARAPLADIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153902, "molecule_chembl_id": "CHEMBL204021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "666.79", "alogp": "7.22", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "DARAPLADIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958867", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958867, "molecule_chembl_id": "CHEMBL493439", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.57", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMETINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957993", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957993, "molecule_chembl_id": "CHEMBL1528425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-298645"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958064", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINNAMALDEHYDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958064, "molecule_chembl_id": "CHEMBL293492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinnamaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C/C=C/c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958605", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958605, "molecule_chembl_id": "CHEMBL4090631", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPIVACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963115", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963115, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHR-6494"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960785", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960785, "molecule_chembl_id": "CHEMBL1459534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.38", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-67"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146091", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPIRACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146091, "molecule_chembl_id": "CHEMBL235668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.67", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIPIRACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1CCCN1Cc1nc(O)nc(O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960694, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Simvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955522", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPECITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955522, "molecule_chembl_id": "CHEMBL1773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Capecitabine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154293", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154293, "molecule_chembl_id": "CHEMBL45827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.52", "alogp": "6.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-161570"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154007", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154007, "molecule_chembl_id": "CHEMBL4303622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.29", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PR-619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CSc1cc(SC#N)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154158", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154158, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153587", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153587, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149878", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149878, "molecule_chembl_id": "CHEMBL4241824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.65", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 3008348 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836141", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NADIFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836141, "molecule_chembl_id": "CHEMBL363449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.38", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "nadifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961230", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIQUIRTIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961230, "molecule_chembl_id": "CHEMBL252642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Liquiritigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153515", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153515, "molecule_chembl_id": "CHEMBL4553748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlormadinone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154192, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CERITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960490", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDIRUBIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960490, "molecule_chembl_id": "CHEMBL1276127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Indirubin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.301", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154167", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154167, "molecule_chembl_id": "CHEMBL3672369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.52", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTS964"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149901", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149901, "molecule_chembl_id": "CHEMBL1444186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.35", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-296510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1SC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962840", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962840, "molecule_chembl_id": "CHEMBL1256838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.48", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-99194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963189", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIMEPINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963189, "molecule_chembl_id": "CHEMBL3622533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "2.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CUDC-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961893", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961893, "molecule_chembl_id": "CHEMBL177809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.30", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-iodo-nordihydrocapsaicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830629", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830629, "molecule_chembl_id": "CHEMBL442218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.16", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PROCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831059", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOREPINEPHRINE BITARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831059, "molecule_chembl_id": "CHEMBL1356607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.27", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOREPINEPHRINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830648", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMIPROSATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830648, "molecule_chembl_id": "CHEMBL149082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.18", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRAMIPROSATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834861", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834861, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835920", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DONEPEZIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835920, "molecule_chembl_id": "CHEMBL502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "donepezil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.173", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963009", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CROCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963009, "molecule_chembl_id": "CHEMBL27289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.78", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloconazole HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963016", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963016, "molecule_chembl_id": "CHEMBL1086310", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HC-030031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831131", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIDANOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831131, "molecule_chembl_id": "CHEMBL1460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIDANOSINE (VIDEX)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831249", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELETRIPTAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831249, "molecule_chembl_id": "CHEMBL1201003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.44", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELETRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836122", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEZLOCILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836122, "molecule_chembl_id": "CHEMBL1731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "-0.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mezlocillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962127", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962127, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Risperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962131", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORTIOXETINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962131, "molecule_chembl_id": "CHEMBL2107387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.37", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORTIOXETINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957533", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957533, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Homoharringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963103", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDROCILAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963103, "molecule_chembl_id": "CHEMBL102358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "191.23", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(2-hydroxyethyl)-3-phenylacrylamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963490", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALOVAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963490, "molecule_chembl_id": "CHEMBL2105648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "6.15", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Palovarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149518", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149518, "molecule_chembl_id": "CHEMBL355001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "96.11", "alogp": "-1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154393", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154393, "molecule_chembl_id": "CHEMBL80713", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6490.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149534", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149534, "molecule_chembl_id": "CHEMBL300117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levopropoxyphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150277", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150277, "molecule_chembl_id": "CHEMBL1234429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.50", "alogp": "3.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MP7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153447", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153447, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962450", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESLICARBAZEPINE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962450, "molecule_chembl_id": "CHEMBL87992", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eslicarbazepine (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05963", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148951", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148951, "molecule_chembl_id": "CHEMBL196677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULPIRIDE (S [-])"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149586", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPROPERAZINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149586, "molecule_chembl_id": "CHEMBL1481539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.86", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioproperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149598", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149598, "molecule_chembl_id": "CHEMBL2356801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.50", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimethindene-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154101", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154101, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANISOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154334", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.08", "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154334, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN A9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "830.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149832", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149832, "molecule_chembl_id": "CHEMBL2048872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149833", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149833, "molecule_chembl_id": "CHEMBL249448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.46", "alogp": "1.03", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Isochlorogenic_acid C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961958", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961958, "molecule_chembl_id": "CHEMBL1673046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-92"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957360", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957360, "molecule_chembl_id": "CHEMBL225519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-767491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCc2[nH]c(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962684", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINOSOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962684, "molecule_chembl_id": "CHEMBL451260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.24", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYQUINOLINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)O.Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958084", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958084, "molecule_chembl_id": "CHEMBL301499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DHCaA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZUCAPSAICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957801, "molecule_chembl_id": "CHEMBL313971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CAPSAICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CNC(=O)CCCC/C=C\\C(C)C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148264", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENADIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148264, "molecule_chembl_id": "CHEMBL590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.18", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MENADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957077", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIMETRYN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957077, "molecule_chembl_id": "CHEMBL1888800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.31", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIMETRYN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNc1nc(NCC)nc(SC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEMBOREXANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146334, "molecule_chembl_id": "CHEMBL3545367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.42", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lemborexant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957710", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957710, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TELAPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962414", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLMUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962414, "molecule_chembl_id": "CHEMBL3786343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "486.60", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olmutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148314", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACCHARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148314, "molecule_chembl_id": "CHEMBL310671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.19", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SACCHARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NS(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152818", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152818, "molecule_chembl_id": "CHEMBL12296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.34", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S20928"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCc1cccc2ccccc12)C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152819", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTERODINE TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152819, "molecule_chembl_id": "CHEMBL1722209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolterodine tartrate (Detrol LA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957522", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITRENDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957522, "molecule_chembl_id": "CHEMBL475534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITRENDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962122", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962122, "molecule_chembl_id": "CHEMBL4303689", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.33", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2(c3ccccc3F)CCC(F)(F)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957527", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOPIDOGREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957527, "molecule_chembl_id": "CHEMBL1771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.83", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clopidogrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957149", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957149, "molecule_chembl_id": "CHEMBL464552", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.58", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1838705A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961773", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTIPYRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961773, "molecule_chembl_id": "CHEMBL277474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTIPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961786", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961786, "molecule_chembl_id": "CHEMBL245839", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.83", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.884", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962613", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962613, "molecule_chembl_id": "CHEMBL1673039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.55", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ERK5-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958016", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958016, "molecule_chembl_id": "CHEMBL4575751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-105574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149104", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149104, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153609", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153609, "molecule_chembl_id": "CHEMBL319136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.88", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-91149"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145920", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYSERGIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145920, "molecule_chembl_id": "CHEMBL1065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.47", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methysergide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960677", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960677, "molecule_chembl_id": "CHEMBL4303377", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.20", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ethyl-2-(carbamoyloxy)benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1OC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153923", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153923, "molecule_chembl_id": "CHEMBL4529739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "trans-9,trans-11-Conjugated linoleic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC/C=C/C=C/CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149197", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPIFARNIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149197, "molecule_chembl_id": "CHEMBL289228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Tipifarnib (Zarnestra)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149497", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149497, "molecule_chembl_id": "CHEMBL4303712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.44", "alogp": "-7.57", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "4-galactosyllactose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149203", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HISTAMINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149203, "molecule_chembl_id": "CHEMBL1533310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.07", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HISTAMINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149086", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEBOPRIDE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149086, "molecule_chembl_id": "CHEMBL1599248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.96", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clebopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146903", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146903, "molecule_chembl_id": "CHEMBL218071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.45", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-798;106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149666", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MACITENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149666, "molecule_chembl_id": "CHEMBL2103873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.28", "alogp": "3.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Macitentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149397", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOSAPRIDE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149397, "molecule_chembl_id": "CHEMBL1733174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.02", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOSAPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147455", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENICILLIN DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147455, "molecule_chembl_id": "CHEMBL606260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.37", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBENICILLIN DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148883", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUTAMOREN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148883, "molecule_chembl_id": "CHEMBL2105872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "624.78", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Ibutamoren (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957966", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957966, "molecule_chembl_id": "CHEMBL375166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-C155858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958137", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958137, "molecule_chembl_id": "CHEMBL589101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957541", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELCAGEPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957541, "molecule_chembl_id": "CHEMBL236593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "566.53", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TELCAGEPANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957544", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957544, "molecule_chembl_id": "CHEMBL1951790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957887", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-42165279", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957887, "molecule_chembl_id": "CHEMBL4297294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.81", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-42165279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962489", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962489, "molecule_chembl_id": "CHEMBL1867915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "639.83", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MOXIDECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962147", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962147, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-1775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.707", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957552, "molecule_chembl_id": "CHEMBL306380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149756", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149756, "molecule_chembl_id": "CHEMBL4303343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.40", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Peficitinib (ASP015K; JNJ-54781532)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C2C[C@@H]3C[C@H]1C[C@](O)(C2)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154009", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMEPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154009, "molecule_chembl_id": "CHEMBL501849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Simeprevir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149199", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149199, "molecule_chembl_id": "CHEMBL1829173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.45", "alogp": "6.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMG 837 (calcium hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149202, "molecule_chembl_id": "CHEMBL2178101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLPG0492 (R enantiomer)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152593", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPENTIXOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152593, "molecule_chembl_id": "CHEMBL54661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.53", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Flupentixol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150303", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHYNODREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150303, "molecule_chembl_id": "CHEMBL1387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORETHYNODREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150304", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PJ34", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150304, "molecule_chembl_id": "CHEMBL3233481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.80", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PJ34 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150305", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150305, "molecule_chembl_id": "CHEMBL4303406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.64", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "ANTIMONY POTASSIUM TARTRATE TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150308", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150308, "molecule_chembl_id": "CHEMBL1963131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB 3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154130", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154130, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERPHENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149629", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SINOMENINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149629, "molecule_chembl_id": "CHEMBL248095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.40", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sinomenine (Cucoline)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146974", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IGURATIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146974, "molecule_chembl_id": "CHEMBL2107455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iguratimod\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145587", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145587, "molecule_chembl_id": "CHEMBL3814752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.46", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-637"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153238", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153238, "molecule_chembl_id": "CHEMBL53753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.19", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 158780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960316", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960316, "molecule_chembl_id": "CHEMBL4303215", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.43", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AA-29504"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153926", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153926, "molecule_chembl_id": "CHEMBL540034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.34", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "3-CPMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151115", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODIPAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151115, "molecule_chembl_id": "CHEMBL1165268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1139.76", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "IODIPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151132", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151132, "molecule_chembl_id": "CHEMBL93836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valpromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147251", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREHALOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147251, "molecule_chembl_id": "CHEMBL1236395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Trehalose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831693", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831693, "molecule_chembl_id": "CHEMBL528271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830130", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830130, "molecule_chembl_id": "CHEMBL70209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.28", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZALTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2csc(N=C(N)N)n2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830196", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUVACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830196, "molecule_chembl_id": "CHEMBL1256362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.60", "alogp": "-0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUVACINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833666", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLYTHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833666, "molecule_chembl_id": "CHEMBL1587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.89", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "POLYTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834459", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM NITRITE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834459, "molecule_chembl_id": "CHEMBL93268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "69.00", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM NITRITE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=N[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834462", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-ISOTHIOUREIDOBUTYRONITRILE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834462, "molecule_chembl_id": "CHEMBL4297540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.22", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "KEVETRIN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830557", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830557, "molecule_chembl_id": "CHEMBL129788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.69", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WR99210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833650", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833650, "molecule_chembl_id": "CHEMBL3039307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "664.44", "alogp": "-3.02", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833467", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-3759", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833467, "molecule_chembl_id": "CHEMBL3623290", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.91", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD3759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828768", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALEXIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828768, "molecule_chembl_id": "CHEMBL1727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalexin monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828969", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYROMAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828969, "molecule_chembl_id": "CHEMBL1231107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.19", "alogp": "-0.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.303", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(NC2CC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829985", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829985, "molecule_chembl_id": "CHEMBL301707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.49", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-MPPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835184", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPROLIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835184, "molecule_chembl_id": "CHEMBL1179735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.33", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amprolium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ncc(C[n+]2ccccc2C)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830088", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830088, "molecule_chembl_id": "CHEMBL64195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.66", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BECLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830956", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830956, "molecule_chembl_id": "CHEMBL207004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.15", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TAK-220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836198", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINCRISTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836198, "molecule_chembl_id": "CHEMBL90555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "824.97", "alogp": "3.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vincristine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830981", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPIROX OLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830981, "molecule_chembl_id": "CHEMBL242580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CICLOPIROX OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836116", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLNALTREXONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836116, "molecule_chembl_id": "CHEMBL1186579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.44", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylnaltrexone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1187", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831384", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYODEOXYCHOLIC_ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831384, "molecule_chembl_id": "CHEMBL272621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "HYODEOXYCHOLIC ACID (HDCA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831385", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSODIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831385, "molecule_chembl_id": "CHEMBL1551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URSODIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831386", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEOXYCHOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831386, "molecule_chembl_id": "CHEMBL406393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEOXYCHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150672", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PNU-282987", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150672, "molecule_chembl_id": "CHEMBL177611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.76", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-282987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145957", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145957, "molecule_chembl_id": "CHEMBL4303507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.42", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "O-1918"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC)cc(C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958760", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MODAFINIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958760, "molecule_chembl_id": "CHEMBL1373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MODAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.998", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964324", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAZOXANE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964324, "molecule_chembl_id": "CHEMBL444186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Razoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957116", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957116, "molecule_chembl_id": "CHEMBL257991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.57", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT 1720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956686", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUGGULSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956686, "molecule_chembl_id": "CHEMBL410683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUGGULSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956436", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956436, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HEXACHLOROPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960714", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960714, "molecule_chembl_id": "CHEMBL4303639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.93", "alogp": "7.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "neurodazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-41.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151303", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORNIFLUMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151303, "molecule_chembl_id": "CHEMBL2105059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morniflumate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152020", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152020, "molecule_chembl_id": "CHEMBL4303496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.40", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-67-7476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151805", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOHIPPURIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151805, "molecule_chembl_id": "CHEMBL463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOHIPPURIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152080", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152080, "molecule_chembl_id": "CHEMBL2141887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.30", "alogp": "5.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147575", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147575, "molecule_chembl_id": "CHEMBL1314409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.75", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SELEGILINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)C(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150998", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150998, "molecule_chembl_id": "CHEMBL11919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-methylhistamine-dihydrobromide-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153402", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NERATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153402, "molecule_chembl_id": "CHEMBL180022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.05", "alogp": "5.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Neratinib (HKI-272)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147585", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147585, "molecule_chembl_id": "CHEMBL2070953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.60", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836123", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDODRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836123, "molecule_chembl_id": "CHEMBL1201212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Midodrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)CNC(=O)CN)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831253", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-ISRADIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831253, "molecule_chembl_id": "CHEMBL399539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISRADIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152770", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152770, "molecule_chembl_id": "CHEMBL517986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.77", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EIPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153255", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153255, "molecule_chembl_id": "CHEMBL3808844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.56", "alogp": "6.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LDC1267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148274", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148274, "molecule_chembl_id": "CHEMBL1446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.58", "alogp": "-7.29", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "KANAMYCIN A SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148334, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pexidartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956690", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RELUGOLIX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956690, "molecule_chembl_id": "CHEMBL1800159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "623.64", "alogp": "3.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Relugolix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964309", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.76", "bao_label": "assay format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964309, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1720.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957001", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONVANSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957001, "molecule_chembl_id": "CHEMBL1738758", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.53", "alogp": "1.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NMS-1286937"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957135", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEXARAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957135, "molecule_chembl_id": "CHEMBL192966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "496.65", "alogp": "6.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FEXARAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148316", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYNODIOL DIACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148316, "molecule_chembl_id": "CHEMBL1200624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHYNODIOL DIACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838715", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST  CELLS INFECTED GOES UP TO 200%", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838715, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "169.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831770", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831770, "molecule_chembl_id": "CHEMBL586058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.24", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-10417808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)[nH]c(Nc3ccc(Cl)c(Cl)c3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829919", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829919, "molecule_chembl_id": "CHEMBL295413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NALTRIBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834466", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834466, "molecule_chembl_id": "CHEMBL4303455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.86", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-209929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834892", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834892, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835273", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835273, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etravirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08885", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829736", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829736, "molecule_chembl_id": "CHEMBL792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.11", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "URIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(O)c2nc(O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830216", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830216, "molecule_chembl_id": "CHEMBL77538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-DPP728"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834853", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834853, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830203", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAGABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830203, "molecule_chembl_id": "CHEMBL1695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.02", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TIAGABINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMIODARONE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834911, "molecule_chembl_id": "CHEMBL633", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "645.32", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "amiodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829742", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMETREXOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829742, "molecule_chembl_id": "CHEMBL34412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.46", "alogp": "0.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LOMETREXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830210", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XAMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830210, "molecule_chembl_id": "CHEMBL2104466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.46", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XAMOTEROL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958864", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958864, "molecule_chembl_id": "CHEMBL1394757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOGLUTETHIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963332", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESVERATROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963332, "molecule_chembl_id": "CHEMBL165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.893", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958735", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958735, "molecule_chembl_id": "CHEMBL602850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.37", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958736", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYPHENONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958736, "molecule_chembl_id": "CHEMBL1200906", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.41", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPHENONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960446", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960446, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sotrastaurin (AEB071)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.885", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959107", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959107, "molecule_chembl_id": "CHEMBL505765", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-hydroxy-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCCN(CCC)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955780", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERBINAFINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955780, "molecule_chembl_id": "CHEMBL822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Terbinafine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962826", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VOLASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962826, "molecule_chembl_id": "CHEMBL1233528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.83", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "BI6727 (Volasertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.691", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958225", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958225, "molecule_chembl_id": "CHEMBL4566020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.47", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "physostigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C.O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958227", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958227, "molecule_chembl_id": "CHEMBL13790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.66", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD047050"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=N)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963157, "molecule_chembl_id": "CHEMBL561708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WYE-354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.533", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958824", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLODIPINE BESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958824, "molecule_chembl_id": "CHEMBL1200402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "567.06", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLODIPINE BESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959544", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959544, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nordihydroguaiaretic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960219", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIALAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960219, "molecule_chembl_id": "CHEMBL1256841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961707", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961707, "molecule_chembl_id": "CHEMBL576786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.49", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JZL184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959313", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIDUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959313, "molecule_chembl_id": "CHEMBL65433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.30", "alogp": "-4.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "imidurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959466", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREDNISOLONE HEMISUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959466, "molecule_chembl_id": "CHEMBL485659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.52", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PREDNISOLONE HEMISUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964010", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEDROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964010, "molecule_chembl_id": "CHEMBL1974890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cedrol-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146220", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146220, "molecule_chembl_id": "CHEMBL4303457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.30", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ilepcimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C=Cc1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153233", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIDOFLUDIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153233, "molecule_chembl_id": "CHEMBL197194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vidofludimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150132", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDAFENACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150132, "molecule_chembl_id": "CHEMBL53366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Imidafenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151415", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151415, "molecule_chembl_id": "CHEMBL1502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PANTOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147181", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOGUVACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147181, "molecule_chembl_id": "CHEMBL540303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.60", "alogp": "-0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoguvacine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149420", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INFIGRATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149420, "molecule_chembl_id": "CHEMBL1852688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.49", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "BGJ398 (NVP-BGJ398)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154074", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154074, "molecule_chembl_id": "CHEMBL1173655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AFATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960500", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960500, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOXZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153936", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPADENOSON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153936, "molecule_chembl_id": "CHEMBL3235279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.04", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Capadenoson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149652", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149652, "molecule_chembl_id": "CHEMBL514554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.50", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-573228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153950", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153950, "molecule_chembl_id": "CHEMBL2332367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.68", "alogp": "-2.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cyclo(-RGDfK)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154255", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.10", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154255, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Harringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "790.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957200", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IRINOTECAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957200, "molecule_chembl_id": "CHEMBL481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "586.69", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IRINOTECAN HYDROCHLORIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "121.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956760", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-8055", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956760, "molecule_chembl_id": "CHEMBL1801204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8055"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "118.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835249", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.026192725,-0.05308682)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXEPIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835249, "molecule_chembl_id": "CHEMBL1628227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doxepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2COc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835349", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYLIC ACID METABOLITE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835349, "molecule_chembl_id": "CHEMBL907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.90", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Losartan Carboxylic Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833015", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELIGLUSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833015, "molecule_chembl_id": "CHEMBL2110588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELIGLUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832891", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELINOGREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832891, "molecule_chembl_id": "CHEMBL2103828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.96", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ELINOGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830681", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOPINDOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830681, "molecule_chembl_id": "CHEMBL357995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BOPINDOLOL MALONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830530", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIKETOPIPERAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830530, "molecule_chembl_id": "CHEMBL125229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIPERAZINEDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CNC(=O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835453", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVOCERANIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835453, "molecule_chembl_id": "CHEMBL3186534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Apatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835456", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.076312901,-0.01835016)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835456, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835246", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIVALPROEX SODIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835246, "molecule_chembl_id": "CHEMBL2105613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Divalproex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835065", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPAFENONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835065, "molecule_chembl_id": "CHEMBL631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.45", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "propafenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830093", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830093, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829920", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIBEFRADIL DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829920, "molecule_chembl_id": "CHEMBL1534525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.56", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MIBEFRADIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829774", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLASTATIN-10", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829774, "molecule_chembl_id": "CHEMBL39541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.11", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DOLASTIN-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835373", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835373, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Milrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833758", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENTICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833758, "molecule_chembl_id": "CHEMBL2107703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "7.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FENTICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829950", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KENPAULLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829950, "molecule_chembl_id": "CHEMBL296586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.18", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KENPAULLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835658", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURSULTIAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835658, "molecule_chembl_id": "CHEMBL1740659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fursultiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835291", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835291, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fudosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830397", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFENDATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830397, "molecule_chembl_id": "CHEMBL105184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BIFENDATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830310", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUPATADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830310, "molecule_chembl_id": "CHEMBL91397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.97", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "RUPATADINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830316", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830316, "molecule_chembl_id": "CHEMBL91485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.34", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TR-14035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829340", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-AMPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829340, "molecule_chembl_id": "CHEMBL276815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPA-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(O)c1C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829045", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLEROXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829045, "molecule_chembl_id": "CHEMBL6273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLEROXACIN (QUINODIS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829660", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829660, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "UBENIMEX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835348", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835348, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1919", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146901", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMETRYN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146901, "molecule_chembl_id": "CHEMBL1888800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.31", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIMETRYN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNc1nc(NCC)nc(SC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151710", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151710, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Apixaban\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149442", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149442, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHTHALYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149393", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149393, "molecule_chembl_id": "CHEMBL179945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-27219"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148954", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148954, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149110", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149110, "molecule_chembl_id": "CHEMBL42336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153719", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04457845", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153719, "molecule_chembl_id": "CHEMBL1651534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.44", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04457845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961345", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3,5-DIIODOTHYROPROPIONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961345, "molecule_chembl_id": "CHEMBL2348292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.07", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "diiodothyropropionic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961149", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961149, "molecule_chembl_id": "CHEMBL510038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU3327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835947", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPLERENONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835947, "molecule_chembl_id": "CHEMBL1095097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eplerenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148291", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148291, "molecule_chembl_id": "CHEMBL1241857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.37", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-90"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152678", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152678, "molecule_chembl_id": "CHEMBL113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAFFEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148514", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148514, "molecule_chembl_id": "CHEMBL258405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.30", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "icilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154076", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154076, "molecule_chembl_id": "CHEMBL1236782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.49", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT241533"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154141", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154141, "molecule_chembl_id": "CHEMBL4082420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PERHEXILINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(C[C@H]2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148539", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148539, "molecule_chembl_id": "CHEMBL260829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nefiracetam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148419", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148419, "molecule_chembl_id": "CHEMBL3770903", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.56", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SirReal2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956955, "molecule_chembl_id": "CHEMBL488910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.58", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ko 143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957096", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CERALASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957096, "molecule_chembl_id": "CHEMBL4285417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD6738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957299", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957299, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "progesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961821", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITENPYRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961821, "molecule_chembl_id": "CHEMBL259728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.72", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitenpyram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957311", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957311, "molecule_chembl_id": "CHEMBL606201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.46", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JZL195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961900", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961900, "molecule_chembl_id": "CHEMBL556399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.75", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-75"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957073", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957073, "molecule_chembl_id": "CHEMBL2079588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.83", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TELATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957815", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957815, "molecule_chembl_id": "CHEMBL3589894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.60", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-01247324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956790", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MANGIFERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956790, "molecule_chembl_id": "CHEMBL464825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.34", "alogp": "-0.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MANGIFERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956858", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956858, "molecule_chembl_id": "CHEMBL2203843", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.47", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT244747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956722", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956722, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BREXPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956359", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956359, "molecule_chembl_id": "CHEMBL4098877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961426", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROLOXIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961426, "molecule_chembl_id": "CHEMBL487", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SCHEMBL4843"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148028", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148028, "molecule_chembl_id": "CHEMBL109227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.85", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "4,4'-Biphenyldiboronic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956981", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956981, "molecule_chembl_id": "CHEMBL3105156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147717", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147717, "molecule_chembl_id": "CHEMBL3393066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.42", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VS-5584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147745", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147745, "molecule_chembl_id": "CHEMBL207004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.15", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TAK-220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152067", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152067, "molecule_chembl_id": "CHEMBL81379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "5.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "all trans Retinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146248", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146248, "molecule_chembl_id": "CHEMBL442218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.16", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "procysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146964", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPEROSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146964, "molecule_chembl_id": "CHEMBL251254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "-0.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Hyperin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154632", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154632, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151673", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1152-HQPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151673, "molecule_chembl_id": "CHEMBL215152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.57", "alogp": "3.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD1152-HQPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147231", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBROFENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147231, "molecule_chembl_id": "CHEMBL1605443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.23", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mebrofenin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150551", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150551, "molecule_chembl_id": "CHEMBL1331734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.34", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-625987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151766", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELIGLUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151766, "molecule_chembl_id": "CHEMBL2110588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELIGLUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147267", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147267, "molecule_chembl_id": "CHEMBL1213603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.30", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiamet G"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151924", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERUBULIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151924, "molecule_chembl_id": "CHEMBL2105697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "verubulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147332", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147332, "molecule_chembl_id": "CHEMBL3919973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.84", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPR120-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150569", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPODOXIME PROXETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150569, "molecule_chembl_id": "CHEMBL1201016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.61", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefpodoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153804", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITRAVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153804, "molecule_chembl_id": "CHEMBL3989926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "629.69", "alogp": "6.52", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Sitravatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152099", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEDIPASVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152099, "molecule_chembl_id": "CHEMBL2374220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "889.02", "alogp": "8.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ledipasvir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958697", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958697, "molecule_chembl_id": "CHEMBL1317618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.57", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "prenylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147236", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147236, "molecule_chembl_id": "CHEMBL2178100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLPG0492"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151823", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASP-3026", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151823, "molecule_chembl_id": "CHEMBL3545360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.76", "alogp": "3.77", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ASP3026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832107", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832107, "molecule_chembl_id": "CHEMBL1224151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "E 2012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831914", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEBUXOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831914, "molecule_chembl_id": "CHEMBL1164729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FEBUXOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152354", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN MORPHOLINYLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152354, "molecule_chembl_id": "CHEMBL72631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.90", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838671", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ABBV-744", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838671, "molecule_chembl_id": "CHEMBL4297454", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "491.56", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ABBV-744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.548", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830556, "molecule_chembl_id": "CHEMBL129263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMY-14802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829924", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829924, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-METHOXYESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834474", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834474, "molecule_chembl_id": "CHEMBL4303169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "APREPITANT (MK-0869)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833657", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833657, "molecule_chembl_id": "CHEMBL3039448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOROMETHOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829904", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPEREZOLID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829904, "molecule_chembl_id": "CHEMBL47955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.40", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPEREZOLID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146958", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXPRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146958, "molecule_chembl_id": "CHEMBL2107003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.58", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RU-28318"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152012", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152012, "molecule_chembl_id": "CHEMBL1450770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID755673"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCCc2c1oc1ccc(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146497", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILAZEP HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146497, "molecule_chembl_id": "CHEMBL1256327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "641.16", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dilazep"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147583", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESLORATADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147583, "molecule_chembl_id": "CHEMBL1172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.83", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESLORATIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152092", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152092, "molecule_chembl_id": "CHEMBL95121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY266097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962522", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDASANUTLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962522, "molecule_chembl_id": "CHEMBL2402737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "616.49", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Idasanutlin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962307", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962307, "molecule_chembl_id": "CHEMBL578741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-90-7501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-95.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962310", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962310, "molecule_chembl_id": "CHEMBL3105848", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3PO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956683", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956683, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOXZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958274", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIBENZO[B,F][1,4]OXAZEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958274, "molecule_chembl_id": "CHEMBL1085100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIBENZO[B,F][1,4]OXAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=Nc2ccccc2Oc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148329", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOTHENIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148329, "molecule_chembl_id": "CHEMBL1594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PANTOTHENIC_acid(d) Na salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148317", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148317, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "opipramol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957736", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957736, "molecule_chembl_id": "CHEMBL2386353", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.32", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUG-770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152756", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152756, "molecule_chembl_id": "CHEMBL1982660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.31", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-1070722"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146171", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146171, "molecule_chembl_id": "CHEMBL4303336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.95", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tropesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(C(=O)O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148343", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENCYCLIMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148343, "molecule_chembl_id": "CHEMBL1200891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPHENCYCLIMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962687", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962687, "molecule_chembl_id": "CHEMBL556353", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.31", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pifithrin-alpha"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151438", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151438, "molecule_chembl_id": "CHEMBL4303707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.38", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CW-008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151440", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151440, "molecule_chembl_id": "CHEMBL4303647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IEM 1754 dihydrobroMide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCNCC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146952", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146952, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ibudilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151703", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPERMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151703, "molecule_chembl_id": "CHEMBL23194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.35", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPERMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836556", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.119396315,0.09789912)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836556, "molecule_chembl_id": "CHEMBL3581907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.31", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nicotianamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147854", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IROSUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147854, "molecule_chembl_id": "CHEMBL286738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "irosustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152360", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUCONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152360, "molecule_chembl_id": "CHEMBL464345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.16", "alogp": "-3.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SODIUM GLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146600", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146600, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FlUMAZENIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833389", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINOMETOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833389, "molecule_chembl_id": "CHEMBL3414626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "3.32", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "PINOMETOSTAT (EPZ5676)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834789", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "13.4 \u00b1 6.58", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834789, "molecule_chembl_id": "CHEMBL4303163", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "377.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBIPES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13400.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2ccc(C#N)cc2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149011", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFOGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149011, "molecule_chembl_id": "CHEMBL2110731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.44", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TOFOGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962317", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONC-201", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962317, "molecule_chembl_id": "CHEMBL4297310", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ONC201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMDINOCILLIN PIVOXIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962702, "molecule_chembl_id": "CHEMBL1650818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pivmecillinam (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.671", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962326", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-6482", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962326, "molecule_chembl_id": "CHEMBL2165191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD6482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958428", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUSCIMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958428, "molecule_chembl_id": "CHEMBL273481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MUSCIMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960520", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAFCILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960520, "molecule_chembl_id": "CHEMBL1200344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.47", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963408", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963408, "molecule_chembl_id": "CHEMBL125236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Andarine (GTX-007)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958239", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958239, "molecule_chembl_id": "CHEMBL574779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-352717"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958341", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958341, "molecule_chembl_id": "CHEMBL254781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBD-556"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958675", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958675, "molecule_chembl_id": "CHEMBL1357114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORETHINDRONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963248", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASPARTAME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963248, "molecule_chembl_id": "CHEMBL171679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ASPARTAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.523", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963536", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARUNAVIR ETHANOLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963536, "molecule_chembl_id": "CHEMBL1201127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "593.74", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Darunavir Ethanolate (Prezista)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958944", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEPTAMINOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958944, "molecule_chembl_id": "CHEMBL2107282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.71", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEPTAMINOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)CCCC(C)(C)O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963550", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOVITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963550, "molecule_chembl_id": "CHEMBL522892", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dovitinib (TKI-258; CHIR-258)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963611", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBIMAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963611, "molecule_chembl_id": "CHEMBL508102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)n1ccn(C)c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963556, "molecule_chembl_id": "CHEMBL403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.25", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.736", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959011", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPIROXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959011, "molecule_chembl_id": "CHEMBL1566249", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampiroxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957044", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957044, "molecule_chembl_id": "CHEMBL351042", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829008", "_score": 6.4231606, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829008, "molecule_chembl_id": "CHEMBL1435413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinidine hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl.O", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147586", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LXR-623", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147586, "molecule_chembl_id": "CHEMBL456237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.78", "alogp": "6.70", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "LXR-623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153310", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153310, "molecule_chembl_id": "CHEMBL288114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.12", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836297", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPAMIDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836297, "molecule_chembl_id": "CHEMBL1200932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "777.09", "alogp": "-1.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Iopamidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831426", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831426, "molecule_chembl_id": "CHEMBL518800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CR8-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831757", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPORINAD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831757, "molecule_chembl_id": "CHEMBL566757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.52", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FK-866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830471", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830471, "molecule_chembl_id": "CHEMBL115225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.68", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-701252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(O)nc2cc(Cl)ccc2c1O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834781", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "9 \u00b1 0.96", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DROTAVERINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834781, "molecule_chembl_id": "CHEMBL551978", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROTAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957097", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEMIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957097, "molecule_chembl_id": "CHEMBL430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.39", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149587", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATAZANAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149587, "molecule_chembl_id": "CHEMBL1163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "704.87", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Atazanavir sulfate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150146", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOTHIAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150146, "molecule_chembl_id": "CHEMBL828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.28", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOTHIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149798", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149798, "molecule_chembl_id": "CHEMBL1871851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FORMESTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154306", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154306, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151994", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESFESOTERODINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151994, "molecule_chembl_id": "CHEMBL3348932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.50", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-hydroxymethyl tolterodine (PNU 200577)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150142", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FERULATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150142, "molecule_chembl_id": "CHEMBL32749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ferulic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150230", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLINE ALFOSCERATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150230, "molecule_chembl_id": "CHEMBL1567463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.22", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "sn-Glycero-3-phosphocholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150151", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SGX-523", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150151, "molecule_chembl_id": "CHEMBL1236107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGX-523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154544", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154544, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CHIR-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154668", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154668, "molecule_chembl_id": "CHEMBL178334", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "472.61", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECLAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149932, "molecule_chembl_id": "CHEMBL2105593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.63", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "seclazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cc(Cl)ccc2OC2CCON12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154435", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154435, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONENSIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149934", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149934, "molecule_chembl_id": "CHEMBL291962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961692", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOLIMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961692, "molecule_chembl_id": "CHEMBL2105534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zolimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958008", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958008, "molecule_chembl_id": "CHEMBL1309134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.36", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601979"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958113", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958113, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962717", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUROFAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962717, "molecule_chembl_id": "CHEMBL144620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.14", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flurofamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NP(N)(=O)NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145670", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145670, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962871", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TESTOSTERONE UNDECANOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962871, "molecule_chembl_id": "CHEMBL2107067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.96", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Testosterone (undecanoate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148511", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RRX-001", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148511, "molecule_chembl_id": "CHEMBL3526802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.02", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-Bromo-1-(3;3-dinitroazetidin-1-yl)ethan-1-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CBr)N1CC([N+](=O)[O-])([N+](=O)[O-])C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962874", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962874, "molecule_chembl_id": "CHEMBL1230640", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153448", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153448, "molecule_chembl_id": "CHEMBL3422104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Mps-BAY-2a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CNc1nc(-c2cccc3ncccc23)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146890", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146890, "molecule_chembl_id": "CHEMBL3633720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.79", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-63533054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957743", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NECA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957743, "molecule_chembl_id": "CHEMBL464859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.30", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962890", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962890, "molecule_chembl_id": "CHEMBL276679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.45", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dorzolamide HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154372", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154372, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bepridil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23440.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154377", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BRIVANIB ALANINATE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154377, "molecule_chembl_id": "CHEMBL270995", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Brivanib alaninate (BMS-582664)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2580.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149919", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149919, "molecule_chembl_id": "CHEMBL1318939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.85", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etofylline-clofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149585", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149585, "molecule_chembl_id": "CHEMBL393929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150419", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150419, "molecule_chembl_id": "CHEMBL3335793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.51", "alogp": "2.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145575", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TP-3654", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145575, "molecule_chembl_id": "CHEMBL3975308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.46", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TP-3654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957361", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HESPERADIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957361, "molecule_chembl_id": "CHEMBL514409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.67", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HESPERADIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956773", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956773, "molecule_chembl_id": "CHEMBL97162", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 239063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956660", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956660, "molecule_chembl_id": "CHEMBL3410535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ubiquitin Isopeptidase Inhibitor I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\\c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957379", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INFIGRATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957379, "molecule_chembl_id": "CHEMBL1852688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.49", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "INFIGRATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957702, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VEMURAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960513, "molecule_chembl_id": "CHEMBL1556584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.19", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Spermine\u00e14HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957071", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957071, "molecule_chembl_id": "CHEMBL4549735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "792.02", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ASCOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCLACITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149895, "molecule_chembl_id": "CHEMBL2103874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCLACITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154403", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154403, "molecule_chembl_id": "CHEMBL2363137", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "361.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH-535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16630.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147352", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147352, "molecule_chembl_id": "CHEMBL3601951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.39", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS2002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(-c2ccc3occ(-c4ccc([S+](C)[O-])cc4)c3c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148737", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148737, "molecule_chembl_id": "CHEMBL1558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.87", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151495", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CPI 613", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151495, "molecule_chembl_id": "CHEMBL3186849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.60", "alogp": "6.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CPI-613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150324", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIVELESTAT SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150324, "molecule_chembl_id": "CHEMBL3182314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.51", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Sivelestat (sodium tetrahydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829954", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMOTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829954, "molecule_chembl_id": "CHEMBL902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMOTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834656", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPROMAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834656, "molecule_chembl_id": "CHEMBL829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.45", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMEPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830139", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINPOCETINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830139, "molecule_chembl_id": "CHEMBL71752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VINPOCETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835936", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835936, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eltrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1261", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834417", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834417, "molecule_chembl_id": "CHEMBL4303280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.16", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOROCHOLINE CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CF)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834491", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY2979165", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834491, "molecule_chembl_id": "CHEMBL3544939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 1, "image_file": "smallMolecule.svg", "compound_key": "LY2979165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957320", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALETERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957320, "molecule_chembl_id": "CHEMBL2105738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.56", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GALETERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957057", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARZENIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957057, "molecule_chembl_id": "CHEMBL414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.20", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARZENIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961862", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DILAZEP HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961862, "molecule_chembl_id": "CHEMBL1256327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "641.16", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dilazep"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.987", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828974", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TULOBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828974, "molecule_chembl_id": "CHEMBL1256478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.20", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tulobuterol Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828779", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENISATINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828779, "molecule_chembl_id": "CHEMBL245807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.34", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxyphenisatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.128", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833484", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACALABRUTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833484, "molecule_chembl_id": "CHEMBL3707348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.52", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACALABRUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829038", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829038, "molecule_chembl_id": "CHEMBL4", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961846", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961846, "molecule_chembl_id": "CHEMBL3356976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.39", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JW-642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962415", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962415, "molecule_chembl_id": "CHEMBL1628691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.27", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-839977"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961923", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961923, "molecule_chembl_id": "CHEMBL242004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.58", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SNAP-94847"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153618", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153618, "molecule_chembl_id": "CHEMBL4537826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.51", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MI-77301"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153619", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHLORMETHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153619, "molecule_chembl_id": "CHEMBL1054", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLORMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153728", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RGB-286638", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153728, "molecule_chembl_id": "CHEMBL3545083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.64", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RGB-286638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149137", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149137, "molecule_chembl_id": "CHEMBL2104137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.95", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961420", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961420, "molecule_chembl_id": "CHEMBL90769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.35", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-AQC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.559", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961434", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961434, "molecule_chembl_id": "CHEMBL4303349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-({6-[(3-hydroxyphenyl)amino]pyridazin-3-yl}amino)phenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.242", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153237", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153237, "molecule_chembl_id": "CHEMBL496557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.56", "alogp": "6.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "farnesyl-thiosalicylic-acid-amide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149365", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149365, "molecule_chembl_id": "CHEMBL574779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-352717"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152806", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152806, "molecule_chembl_id": "CHEMBL277535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BIFONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148307", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148307, "molecule_chembl_id": "CHEMBL2062804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.58", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEP33779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153878", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153878, "molecule_chembl_id": "CHEMBL1945130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.10", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenovin-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-13148", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153886, "molecule_chembl_id": "CHEMBL3544960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AT13148"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149943", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMETHYLENEBISACETAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149943, "molecule_chembl_id": "CHEMBL291481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hexamethylenebisacetamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCCCCNC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154047", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154047, "molecule_chembl_id": "CHEMBL432527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.69", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TERFENADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154419", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154419, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib (MLN2238)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2700.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149557", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORICIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149557, "molecule_chembl_id": "CHEMBL1200334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.99", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "moracizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149921", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149921, "molecule_chembl_id": "CHEMBL70246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "-1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "acefylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958590", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958590, "molecule_chembl_id": "CHEMBL3039366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMADINONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150293", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150293, "molecule_chembl_id": "CHEMBL1411333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.24", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956768", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956768, "molecule_chembl_id": "CHEMBL53753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.19", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 158780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154084", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154084, "molecule_chembl_id": "CHEMBL271023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.27", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-106-9920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][S+](c1ccccc1)c1ccc2nnnn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152144", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152144, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclocarban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153722", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153722, "molecule_chembl_id": "CHEMBL415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOMIPRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153744", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153744, "molecule_chembl_id": "CHEMBL254575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY456236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153638", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-743921", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153638, "molecule_chembl_id": "CHEMBL2325429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "SB-743921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149249", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149249, "molecule_chembl_id": "CHEMBL4303238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.54", "alogp": "-1.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EB-47"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836499", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836499, "molecule_chembl_id": "CHEMBL4303635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.40", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCMC-Lys"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N)C(=O)O.N[C@@H](CSCC(=O)O)C(=O)O.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831629", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831629, "molecule_chembl_id": "CHEMBL514554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.50", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-573228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957640", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BINIMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957640, "molecule_chembl_id": "CHEMBL3187723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.23", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BINIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963102", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSELTAMIVIR PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963102, "molecule_chembl_id": "CHEMBL1200340", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OSELTAMIVIR PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961885", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NINTEDANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961885, "molecule_chembl_id": "CHEMBL502835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.64", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nintedanib (BIBF 1120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150718", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150718, "molecule_chembl_id": "CHEMBL45349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.71", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-191011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146221", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOVOBIOCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146221, "molecule_chembl_id": "CHEMBL36506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.63", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NOVOBIOCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958782", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEVANTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958782, "molecule_chembl_id": "CHEMBL2106060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.90", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bevantolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963395", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GAVESTINEL SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963395, "molecule_chembl_id": "CHEMBL419045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.19", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gavestinel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151776", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINOMETOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151776, "molecule_chembl_id": "CHEMBL3414626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "3.32", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Pinometostat (EPZ5676)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147084", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPIRTINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147084, "molecule_chembl_id": "CHEMBL1256752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.40", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flupirtine (Maleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152595", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACADESINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152595, "molecule_chembl_id": "CHEMBL1551724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "-2.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AICAR (Acadesine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146796", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLEPHRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146796, "molecule_chembl_id": "CHEMBL1215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenylephrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151302", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151302, "molecule_chembl_id": "CHEMBL1823342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.69", "alogp": "5.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "JNJ-31020028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151735", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151735, "molecule_chembl_id": "CHEMBL556667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.67", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0364770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151640", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151640, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TELAPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149329", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149329, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154464", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154464, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM002548975"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956939", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956939, "molecule_chembl_id": "CHEMBL22587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "itraconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153207", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KIFUNENSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153207, "molecule_chembl_id": "CHEMBL1233851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.19", "alogp": "-4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kifunensine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150686", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPYRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150686, "molecule_chembl_id": "CHEMBL1165011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ampyrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962529", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANABENZ ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962529, "molecule_chembl_id": "CHEMBL1200560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.14", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANABENZ ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958300, "molecule_chembl_id": "CHEMBL259018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.32", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146335", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146335, "molecule_chembl_id": "CHEMBL507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-methylhistamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(CCN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147894, "molecule_chembl_id": "CHEMBL47529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH 28080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(OCc3ccccc3)cccn2c1CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151010", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151010, "molecule_chembl_id": "CHEMBL3793901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-51344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152781", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152781, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151944", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECOQUINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151944, "molecule_chembl_id": "CHEMBL416230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.55", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Decoquinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153519", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBLASTINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153519, "molecule_chembl_id": "CHEMBL378544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "909.07", "alogp": "3.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vinblastine (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153369", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZACITIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153369, "molecule_chembl_id": "CHEMBL1489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Azacitidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958273", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958273, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LUMIRACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958052", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958052, "molecule_chembl_id": "CHEMBL2057618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK 1903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1n[nH]c2c1C[C@H]1C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958058", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958058, "molecule_chembl_id": "CHEMBL415511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.81", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 11811"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(I)c(I)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958076", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROPIRIMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958076, "molecule_chembl_id": "CHEMBL37387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.10", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROPIRIMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c(Br)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145962", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145962, "molecule_chembl_id": "CHEMBL1087004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PPQ-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148341", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148341, "molecule_chembl_id": "CHEMBL1476397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.54", "alogp": "7.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-11302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(=C/C=C/C(C)=C/C(=O)O)c2ccc(C)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152849", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-4112", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152849, "molecule_chembl_id": "CHEMBL1961795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.90", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK4112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148506", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIFRAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148506, "molecule_chembl_id": "CHEMBL278488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acifran"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(c2ccccc2)OC(C(=O)O)=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146884", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYFASUDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146884, "molecule_chembl_id": "CHEMBL1233300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.38", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYFASUDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMEXON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146886, "molecule_chembl_id": "CHEMBL146428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "111.10", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IMEXON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1NC(=O)N2CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964057", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964057, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964012", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964012, "molecule_chembl_id": "CHEMBL246078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-1485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.434", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962841", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962841, "molecule_chembl_id": "CHEMBL1873475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.51", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959563", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959563, "molecule_chembl_id": "CHEMBL1527815", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISOPROLOL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960300, "molecule_chembl_id": "CHEMBL1234757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEGLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964176", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACRISORCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964176, "molecule_chembl_id": "CHEMBL1201038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.51", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ACRISORCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150514", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150514, "molecule_chembl_id": "CHEMBL4303215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.43", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AA-29504"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956851", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIGLITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956851, "molecule_chembl_id": "CHEMBL1561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "miglitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956853", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956853, "molecule_chembl_id": "CHEMBL327980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.53", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-4031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956719", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAPITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956719, "molecule_chembl_id": "CHEMBL2408045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAPITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956844", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIQUAFOSOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956844, "molecule_chembl_id": "CHEMBL221326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "790.31", "alogp": "-4.19", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "DIQUAFOSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959110", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MITOMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959110, "molecule_chembl_id": "CHEMBL105", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "-1.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MITOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963784", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELCAGEPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963784, "molecule_chembl_id": "CHEMBL236593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "566.53", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Telcagepant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955761", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BACLOFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955761, "molecule_chembl_id": "CHEMBL701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baclofen\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960573", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960573, "molecule_chembl_id": "CHEMBL4303684", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK-5099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cn(-c2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958530", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW572738X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958530, "molecule_chembl_id": "CHEMBL234838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW572738X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963134", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963134, "molecule_chembl_id": "CHEMBL27441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AJ76-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145673", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145673, "molecule_chembl_id": "CHEMBL509860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.36", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2183240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956884", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956884, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bosentan Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956888", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956888, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957120", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957120, "molecule_chembl_id": "CHEMBL522691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.63", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LP-211"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961723", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961723, "molecule_chembl_id": "CHEMBL395280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Huperzine A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHLORIZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956694, "molecule_chembl_id": "CHEMBL245067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.41", "alogp": "-0.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHLORIZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957000", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957000, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961741", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961741, "molecule_chembl_id": "CHEMBL2315158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DSR-6434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963029", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963029, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cytisine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.316", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958430", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEDATOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958430, "molecule_chembl_id": "CHEMBL592445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "615.74", "alogp": "3.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GEDATOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963559", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFURSOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963559, "molecule_chembl_id": "CHEMBL485549", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFURSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959026", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959026, "molecule_chembl_id": "CHEMBL299879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.62", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NTNCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959710", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALIPERIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959710, "molecule_chembl_id": "CHEMBL1621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALIPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960529", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOQUINONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960529, "molecule_chembl_id": "CHEMBL1358790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.80", "alogp": "4.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "benzoquinonium-dibromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958965", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SARPOGRELATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958965, "molecule_chembl_id": "CHEMBL52939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Sarpogrelate (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960786", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOXYCORTICOSTERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960786, "molecule_chembl_id": "CHEMBL1200542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESOXYCORTICOSTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958423", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958423, "molecule_chembl_id": "CHEMBL7087", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.26", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(2-AMINOETHYL)BENZENESULFONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955916", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955916, "molecule_chembl_id": "CHEMBL4303576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.49", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nibentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959454", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECYSTEINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959454, "molecule_chembl_id": "CHEMBL1490495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.65", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECYSTEINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(N)CS.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959475", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLOSEQUINAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959475, "molecule_chembl_id": "CHEMBL1908307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flosequinan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958803", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958803, "molecule_chembl_id": "CHEMBL4082420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PERHEXILINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.547", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(C[C@H]2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963535", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETAFENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963535, "molecule_chembl_id": "CHEMBL1736151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etafenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958935", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958935, "molecule_chembl_id": "CHEMBL1256955", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "590.58", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-20712A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959016", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959016, "molecule_chembl_id": "CHEMBL1234268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "48-D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960475", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRIDINOL METHANESULFONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960475, "molecule_chembl_id": "CHEMBL1528011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.53", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRIDINOL METHANESULFONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148266", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148266, "molecule_chembl_id": "CHEMBL408982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148813", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148813, "molecule_chembl_id": "CHEMBL115225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.68", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-701252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(O)nc2cc(Cl)ccc2c1O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149383", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK2256294", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149383, "molecule_chembl_id": "CHEMBL3818875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2256294A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149656", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149656, "molecule_chembl_id": "CHEMBL97858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.33", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS/C(N)=C(C#N)/C(C#N)=C(\\N)SC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153895, "molecule_chembl_id": "CHEMBL2177736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.45", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P505-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149392", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOVALERAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149392, "molecule_chembl_id": "CHEMBL171066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "101.15", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isovaleramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153897", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153897, "molecule_chembl_id": "CHEMBL3356009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "601.13", "alogp": "6.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Kira8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956924", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956924, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIVAROXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956933", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956933, "molecule_chembl_id": "CHEMBL2391504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spautin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835891", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFLAZACORT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835891, "molecule_chembl_id": "CHEMBL1201891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.52", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "deflazacort"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831712", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831712, "molecule_chembl_id": "CHEMBL559569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.41", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-612111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831716", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831716, "molecule_chembl_id": "CHEMBL560590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.45", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831129", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFUROXAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831129, "molecule_chembl_id": "CHEMBL244888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFUROXAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831274", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUSTROBAILIGNAN 6", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831274, "molecule_chembl_id": "CHEMBL254071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MACELIGNAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831430", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831430, "molecule_chembl_id": "CHEMBL4303597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "MITIGLINIDE CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836365", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.294848665,0.274908413)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR DISOPROXIL FUMARATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836365, "molecule_chembl_id": "CHEMBL1486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.52", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tenofovir Disoproxil Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2849", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831437", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URETHANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831437, "molecule_chembl_id": "CHEMBL462547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URETHANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836375", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOCRISTINE MESYLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836375, "molecule_chembl_id": "CHEMBL1255837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "707.85", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Dihydroergocristine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835877", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYROMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835877, "molecule_chembl_id": "CHEMBL1231107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.19", "alogp": "-0.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(NC2CC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836571", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.379566171,0.125449684)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836571, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956815", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOSERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956815, "molecule_chembl_id": "CHEMBL771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DL-Cycloserine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CONC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964050", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMILORIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964050, "molecule_chembl_id": "CHEMBL1398126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.12", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMILORIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963623", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963623, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959019", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959019, "molecule_chembl_id": "CHEMBL348890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.43", "alogp": "6.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DR-4485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccc(Cl)cc2)CC1)CCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964186", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964186, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "hemin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153894, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib (AB1010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149664", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPHENAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149664, "molecule_chembl_id": "CHEMBL1109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAPHENAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153900", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153900, "molecule_chembl_id": "CHEMBL3039124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "LANATOSIDE C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831625", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALIDROSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831625, "molecule_chembl_id": "CHEMBL465208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "-1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALIDROSIDE (RHODIOLOSIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956972", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MENADIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956972, "molecule_chembl_id": "CHEMBL590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.18", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MENADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956809", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956809, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NILVADIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961694, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957087", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957087, "molecule_chembl_id": "CHEMBL27885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.69", "alogp": "7.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NB-598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961917", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN 23", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961917, "molecule_chembl_id": "CHEMBL76904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.303", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147276", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBUNOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147276, "molecule_chembl_id": "CHEMBL1201177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levobunolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834990", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENDAZIM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834990, "molecule_chembl_id": "CHEMBL70971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.19", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Carbendazim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146794", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146794, "molecule_chembl_id": "CHEMBL229264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.72", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-564929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154111", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154111, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DIGITOXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836294", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDORAMIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836294, "molecule_chembl_id": "CHEMBL279516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.46", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indoramin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154290", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154290, "molecule_chembl_id": "CHEMBL3781751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154100", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTRALINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154100, "molecule_chembl_id": "CHEMBL809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.24", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sertraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962487", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962487, "molecule_chembl_id": "CHEMBL2447914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "7.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "K-85"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2601", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152910", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-8245", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152910, "molecule_chembl_id": "CHEMBL1938870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.26", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961070", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961070, "molecule_chembl_id": "CHEMBL3410223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.78", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CTEP (RO4956371)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154088", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154088, "molecule_chembl_id": "CHEMBL1551597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.65", "alogp": "6.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-55-0396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961078", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961078, "molecule_chembl_id": "CHEMBL20963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "486.57", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-216641"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.588", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUISQUALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958082, "molecule_chembl_id": "CHEMBL279956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.13", "alogp": "-2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUISQUALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153176", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153176, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "quinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960505", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960505, "molecule_chembl_id": "CHEMBL3586462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nampt-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CS(=O)(=O)Nc1ccc2c(c1)CCN(C(=O)COc1cccnc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150834", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150834, "molecule_chembl_id": "CHEMBL56331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.44", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-100329"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957392", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957392, "molecule_chembl_id": "CHEMBL3185148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "486.32", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-98014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962695", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEOYLETHANOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962695, "molecule_chembl_id": "CHEMBL280065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.54", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "oleoylethanolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROTENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956445, "molecule_chembl_id": "CHEMBL429023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.42", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROTENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149891", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHYLAMMONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149891, "molecule_chembl_id": "CHEMBL439723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "59.11", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETHYLAMMONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154396", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DELANZOMIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154396, "molecule_chembl_id": "CHEMBL270515", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "413.28", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "DELANZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "460.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154397", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154397, "molecule_chembl_id": "CHEMBL301499", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DHCaA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15680.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956565", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRANSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956565, "molecule_chembl_id": "CHEMBL4297188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ARQ-092"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "112.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149597", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR ETHANOLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149597, "molecule_chembl_id": "CHEMBL1201127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.74", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Darunavir Ethanolate (Prezista)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147913", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147913, "molecule_chembl_id": "CHEMBL4303395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-2,3-Pinanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@H](O)[C@](C)(O)[C@@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148542", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURPUROGALLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148542, "molecule_chembl_id": "CHEMBL66953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.18", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURPUROGALLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)cccc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152546", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXIFLURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152546, "molecule_chembl_id": "CHEMBL1130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "5-Fluorodeoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150312", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBURNINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150312, "molecule_chembl_id": "CHEMBL1892145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Eburnamonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150313", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACLOFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150313, "molecule_chembl_id": "CHEMBL701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baclofen\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150177", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150177, "molecule_chembl_id": "CHEMBL192509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.39", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DY131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150178", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KHELLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150178, "molecule_chembl_id": "CHEMBL44746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.24", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHELLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2c(OC)c2c(=O)cc(C)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153189", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153189, "molecule_chembl_id": "CHEMBL2312168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LMK-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149506", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149506, "molecule_chembl_id": "CHEMBL338117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.52", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 11645373"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CSC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149527", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149527, "molecule_chembl_id": "CHEMBL125236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Andarine (GTX-007)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149531", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149531, "molecule_chembl_id": "CHEMBL4545925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.16", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLAVULANIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1/C(=C\\CO)OC2CC(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149490", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPICILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149490, "molecule_chembl_id": "CHEMBL1200758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ampicillin (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149491", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149491, "molecule_chembl_id": "CHEMBL277535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BIFONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963163", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963163, "molecule_chembl_id": "CHEMBL3182200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Oleoylglycerol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.939", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963226", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963226, "molecule_chembl_id": "CHEMBL3527048", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.60", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4981517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6)C5)c34)cnn2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963580", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALLOPURINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963580, "molecule_chembl_id": "CHEMBL1467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALLOPURINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2[nH][nH]cc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964365", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964365, "molecule_chembl_id": "CHEMBL472940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IPA-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959581", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959581, "molecule_chembl_id": "CHEMBL3039443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEPHRADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.167", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)C2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958988, "molecule_chembl_id": "CHEMBL4303346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.62", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oprozomib (ONX 0912)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146022", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146022, "molecule_chembl_id": "CHEMBL213100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.68", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WH-4-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145593", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145593, "molecule_chembl_id": "CHEMBL3218916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.34", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR3335"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963037", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963037, "molecule_chembl_id": "CHEMBL536151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.68", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-2-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.863", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960439", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960439, "molecule_chembl_id": "CHEMBL406375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GTP-14564"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8359", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955517", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFUROXIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955517, "molecule_chembl_id": "CHEMBL1436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.39", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefuroxime sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955783", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955783, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipriflavone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152042", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFTIFINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152042, "molecule_chembl_id": "CHEMBL626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAFTIFINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147537", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMPEDOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147537, "molecule_chembl_id": "CHEMBL3545313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETC-1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151801, "molecule_chembl_id": "CHEMBL392068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.48", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY411575"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147541", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMOREXANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147541, "molecule_chembl_id": "CHEMBL455136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.57", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Almorexant (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147009", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147009, "molecule_chembl_id": "CHEMBL2078948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4;4-pentamethylenepiperidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC2(CC1)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151513, "molecule_chembl_id": "CHEMBL224120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.45", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ademetionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147550", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147550, "molecule_chembl_id": "CHEMBL1076555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.79", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKI-II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153956", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153956, "molecule_chembl_id": "CHEMBL2316582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GZD824 Dimesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]ncc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153961", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153961, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSU-03012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835881", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACLATASVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835881, "molecule_chembl_id": "CHEMBL2023898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "738.89", "alogp": "6.22", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daclatasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06011", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153969", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153969, "molecule_chembl_id": "CHEMBL3039081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Strophantidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CCC2C1=CC(=O)OC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149468", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149468, "molecule_chembl_id": "CHEMBL429848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.60", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS 1102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153975", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153975, "molecule_chembl_id": "CHEMBL417727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154017", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-13148", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154017, "molecule_chembl_id": "CHEMBL3544960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AT13148"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151814", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151814, "molecule_chembl_id": "CHEMBL1620289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.37", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML133 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNCc2cccc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831403", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUERARIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831403, "molecule_chembl_id": "CHEMBL486386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PUERARIN (KAKONEIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831410", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINYL ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831410, "molecule_chembl_id": "CHEMBL486193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RETINYL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831418", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAE-684", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831418, "molecule_chembl_id": "CHEMBL509032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.22", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAE684 (NVP-TAE684)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146529", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEDATOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146529, "molecule_chembl_id": "CHEMBL592445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.74", "alogp": "3.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-05212384 (PKI-587)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151068", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDAPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151068, "molecule_chembl_id": "CHEMBL317094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.45", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imidapril hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149611", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARIQUIDAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149611, "molecule_chembl_id": "CHEMBL348475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "646.74", "alogp": "6.37", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TARIQUIDAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151964", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN ETEXILATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151964, "molecule_chembl_id": "CHEMBL539697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.75", "alogp": "5.60", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DABIGATRAN ETEXILATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)/N=C(\\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146148", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146148, "molecule_chembl_id": "CHEMBL472694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.25", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NCS-382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C1\\CCCc2ccccc2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147222", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYL SALICYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147222, "molecule_chembl_id": "CHEMBL1339216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.22", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenyl-salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154639", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TANDUTINIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154639, "molecule_chembl_id": "CHEMBL124660", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tandutinib (MLN518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147176", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIDRONATE DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147176, "molecule_chembl_id": "CHEMBL1201042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.99", "alogp": "-0.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETIDRONATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146128", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLIC ADENOSINE MONOPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146128, "molecule_chembl_id": "CHEMBL316966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.21", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclic AMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150996", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150996, "molecule_chembl_id": "CHEMBL3606021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NMS-P118"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963371", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963371, "molecule_chembl_id": "CHEMBL1234574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CK-636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8672", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150673", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150673, "molecule_chembl_id": "CHEMBL285718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-P-PDOT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146364", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VADADUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146364, "molecule_chembl_id": "CHEMBL3646221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.71", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VADADUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962905", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962905, "molecule_chembl_id": "CHEMBL3898452", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-185"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ncn(/C=C\\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958306", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958306, "molecule_chembl_id": "CHEMBL1521361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.89", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SF-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NC1CCCCC1N1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958170", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958170, "molecule_chembl_id": "CHEMBL1223844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.46", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-382631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962508", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962508, "molecule_chembl_id": "CHEMBL1385206", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.88", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962737", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962737, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LISINOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148167", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPERAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148167, "molecule_chembl_id": "CHEMBL260374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.45", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioperamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958167", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DCMU", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958167, "molecule_chembl_id": "CHEMBL278489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.10", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diuron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153011", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153011, "molecule_chembl_id": "CHEMBL4303161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "SODIUM NITROPRUSSIDE DIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150752", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150752, "molecule_chembl_id": "CHEMBL232801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "84.08", "alogp": "-0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMITROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146911, "molecule_chembl_id": "CHEMBL472212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.51", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-431396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151725", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEPOTASTINE BESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151725, "molecule_chembl_id": "CHEMBL1201759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.07", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bepotastine Besilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146341", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146341, "molecule_chembl_id": "CHEMBL273636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.22", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEAQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151682", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELUXADOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151682, "molecule_chembl_id": "CHEMBL2159122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Eluxadoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150652", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHOSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150652, "molecule_chembl_id": "CHEMBL99", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Trichostatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C/C(=O)NO)=C\\[C@@H](C)C(=O)c1ccc(N(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962726", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHYSCION", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962726, "molecule_chembl_id": "CHEMBL42624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rheochrysidin (Physcione)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962628", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EGLUMETAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962628, "molecule_chembl_id": "CHEMBL8759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eglumegad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145886, "molecule_chembl_id": "CHEMBL161702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPA inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)CN(O)C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150894, "molecule_chembl_id": "CHEMBL1990474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-632839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2\\CNC/C(=C\\c3ccc(C)cc3)C2=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146520", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146520, "molecule_chembl_id": "CHEMBL643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMETHAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146398", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146398, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIMETHYL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150719", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAC-IBIPINABANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150719, "molecule_chembl_id": "CHEMBL158784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLV-319-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151098", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NUCLOMEDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151098, "molecule_chembl_id": "CHEMBL2106465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.76", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nuclomedone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146597", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXFENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146597, "molecule_chembl_id": "CHEMBL42442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OXFENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958587", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958587, "molecule_chembl_id": "CHEMBL4303326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1541.55", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "hydroxypropyl-beta-cyclodextrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)COC[C@H]1OC2O[C@@H]3[C@@H](COCC(C)O)OC(O[C@@H]4[C@@H](COCC(C)O)OC(O[C@@H]5[C@@H](COCC(C)O)OC(O[C@@H]6[C@@H](COCC(C)O)OC(O[C@@H]7[C@@H](COCC(C)O)OC(O[C@@H]8[C@@H](COCC(C)O)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146411", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146411, "molecule_chembl_id": "CHEMBL313737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.37", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CY208-243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962946", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962946, "molecule_chembl_id": "CHEMBL1229592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.98", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150829", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXITHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150829, "molecule_chembl_id": "CHEMBL1214185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "837.06", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ROXITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146385", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146385, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILOSTAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145881", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145881, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fenretinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145883", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145883, "molecule_chembl_id": "CHEMBL4303404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145845", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STANOZOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145845, "molecule_chembl_id": "CHEMBL2079587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "stanozolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956461", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHALEXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956461, "molecule_chembl_id": "CHEMBL1727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cephalexin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961361", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIENTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961361, "molecule_chembl_id": "CHEMBL3989777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.16", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIENTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961457", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYACETACIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961457, "molecule_chembl_id": "CHEMBL2106008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "99.09", "alogp": "-1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYACETACIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC(=O)NN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149413", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149413, "molecule_chembl_id": "CHEMBL1356238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.17", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1ccccc1S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149566", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149566, "molecule_chembl_id": "CHEMBL332005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153889", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153889, "molecule_chembl_id": "CHEMBL2359044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.94", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "metixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147458", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147458, "molecule_chembl_id": "CHEMBL186872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.22", "alogp": "-1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRIMA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CCN(CC2)C1(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151410", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151410, "molecule_chembl_id": "CHEMBL58135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.49", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086266"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148769", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148769, "molecule_chembl_id": "CHEMBL1376064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.82", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153379", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFOGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153379, "molecule_chembl_id": "CHEMBL250172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Resibufogenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153836", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-461364", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153836, "molecule_chembl_id": "CHEMBL1908394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK461364"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148773", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STANOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148773, "molecule_chembl_id": "CHEMBL27769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dihydrotestosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153905", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-715", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153905, "molecule_chembl_id": "CHEMBL363648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.52", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TAK-715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153280", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153280, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153850", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153850, "molecule_chembl_id": "CHEMBL399379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.31", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-303141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149355", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149355, "molecule_chembl_id": "CHEMBL1615585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.28", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-Aminocephalosporanic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148098", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148098, "molecule_chembl_id": "CHEMBL1009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152908", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAFOXANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152908, "molecule_chembl_id": "CHEMBL287542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "626.02", "alogp": "6.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RAFOXANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148727", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148727, "molecule_chembl_id": "CHEMBL4303385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-542573X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1NC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149361", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149361, "molecule_chembl_id": "CHEMBL4303475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.43", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASP-2535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146982", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTINICLINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146982, "molecule_chembl_id": "CHEMBL2146093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.33", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "altinicline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149366", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149366, "molecule_chembl_id": "CHEMBL3189135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.67", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1S;2R-PHENYLPROPANOLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149368", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149368, "molecule_chembl_id": "CHEMBL55743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AFALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149371", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROQUINIMEX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149371, "molecule_chembl_id": "CHEMBL11672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "roquinimex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147536", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147536, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zolmitriptan\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153572", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAPROTILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153572, "molecule_chembl_id": "CHEMBL21731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MAPROTILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958497", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958497, "molecule_chembl_id": "CHEMBL1714528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.83", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINDANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962809", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MESO-HEXESTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962809, "molecule_chembl_id": "CHEMBL9225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963188", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963188, "molecule_chembl_id": "CHEMBL19231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AEG3482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1nn2cc(-c3ccccc3)nc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957282", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-547", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957282, "molecule_chembl_id": "CHEMBL384304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957283", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957283, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AGOMELATINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956985", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956985, "molecule_chembl_id": "CHEMBL295069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "743.41", "alogp": "-3.53", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADP+"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956987", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIAVERIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956987, "molecule_chembl_id": "CHEMBL19633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIAVERIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2cnc(N)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149710", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFEXAMAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149710, "molecule_chembl_id": "CHEMBL94394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUFEXAMAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154215", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154215, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154220", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.85", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154220, "molecule_chembl_id": "CHEMBL4303199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "casin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150057", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150057, "molecule_chembl_id": "CHEMBL46909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.35", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154562", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154562, "molecule_chembl_id": "CHEMBL2363137", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "361.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH-535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154497", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154497, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151979", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINOBUCOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151979, "molecule_chembl_id": "CHEMBL83626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.93", "alogp": "9.97", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Succinobucol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147474", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147474, "molecule_chembl_id": "CHEMBL3187229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.60", "alogp": "6.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Norethisterone Enanthate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147480", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147480, "molecule_chembl_id": "CHEMBL2013230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.59", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF11207 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151986", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCIPRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151986, "molecule_chembl_id": "CHEMBL101284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enciprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151990", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151990, "molecule_chembl_id": "CHEMBL1586985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-627497"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149863", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOTROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149863, "molecule_chembl_id": "CHEMBL1578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.35", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "anisotropine methylbromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962735", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETASPIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962735, "molecule_chembl_id": "CHEMBL1184904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.71", "alogp": "4.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Retaspimycin (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956708", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINSITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956708, "molecule_chembl_id": "CHEMBL1091644", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "linsitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959590", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMYLOFIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959590, "molecule_chembl_id": "CHEMBL253592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.48", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMYLOFINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961353", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961353, "molecule_chembl_id": "CHEMBL4303201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.45", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anlotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.526", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150502", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTOLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150502, "molecule_chembl_id": "CHEMBL1204146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.82", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENTOLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956051", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA-SITOSTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956051, "molecule_chembl_id": "CHEMBL221542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.72", "alogp": "8.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "beta-Sitosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956387", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KAEMPFERIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956387, "molecule_chembl_id": "CHEMBL40919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KAEMPFERIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958827", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958827, "molecule_chembl_id": "CHEMBL1511845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.53", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tridihexethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CC[C@](O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152671", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152671, "molecule_chembl_id": "CHEMBL2313653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.38", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESI 05"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148702, "molecule_chembl_id": "CHEMBL478306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH1(BRD-K4477)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153510", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153510, "molecule_chembl_id": "CHEMBL225519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-767491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCc2[nH]c(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146355", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-03882845", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146355, "molecule_chembl_id": "CHEMBL3545175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 1, "image_file": "smallMolecule.svg", "compound_key": "PF-03882845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956667", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956667, "molecule_chembl_id": "CHEMBL15870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148698", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOCOSANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148698, "molecule_chembl_id": "CHEMBL1200453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.61", "alogp": "7.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DOCOSANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956681", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956681, "molecule_chembl_id": "CHEMBL2103842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.95", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VARLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962411", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-1292263", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962411, "molecule_chembl_id": "CHEMBL3187503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK1292263"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962729", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962729, "molecule_chembl_id": "CHEMBL3752415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.86", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-323881"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958028", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958028, "molecule_chembl_id": "CHEMBL1446039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.30", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-296623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NC2=NCCS2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961485", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961485, "molecule_chembl_id": "CHEMBL564131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.90", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cathepsin Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.644", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960706", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960706, "molecule_chembl_id": "CHEMBL986", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.46", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RETINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956363", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956363, "molecule_chembl_id": "CHEMBL595092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "692.88", "alogp": "8.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM679"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OC[C@@H]5Cc6ccccc6N5C(C)=O)ccc43)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956571", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956571, "molecule_chembl_id": "CHEMBL180570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.00", "alogp": "-0.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MEDRONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961432", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULISOBENZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961432, "molecule_chembl_id": "CHEMBL2059073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULISOBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956573", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956573, "molecule_chembl_id": "CHEMBL1615281", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.32", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150505", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEBACIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150505, "molecule_chembl_id": "CHEMBL1232164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.25", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "disodium sebacate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146008", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINITROCHLOROBENZENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146008, "molecule_chembl_id": "CHEMBL292687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.55", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "2;4-dinitrochlorobenzene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150642", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYFASUDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150642, "molecule_chembl_id": "CHEMBL1233300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.38", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxyfasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146253", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146253, "molecule_chembl_id": "CHEMBL239226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.53", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRE-269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150796", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150796, "molecule_chembl_id": "CHEMBL4303674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.83", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTB06584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMAGEDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955886, "molecule_chembl_id": "CHEMBL225304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "74.09", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Aminoguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955948", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955948, "molecule_chembl_id": "CHEMBL15476", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(L)-Lobeline sulfate\u00ca(Rec INNM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961370", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CONIVAPTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961370, "molecule_chembl_id": "CHEMBL1201108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "535.05", "alogp": "6.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Conivaptan HCl (Vaprisol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961459", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXCHLORPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961459, "molecule_chembl_id": "CHEMBL1200927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXCHLORPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151478", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151478, "molecule_chembl_id": "CHEMBL3765016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-311253-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCOCC1)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151789", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Z160", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151789, "molecule_chembl_id": "CHEMBL604710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.62", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NP118809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150041", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150041, "molecule_chembl_id": "CHEMBL34431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CILOSTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958686", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958686, "molecule_chembl_id": "CHEMBL301922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "prolylleucylglycinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.817", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145599", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIZOFURONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145599, "molecule_chembl_id": "CHEMBL18098", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.21", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spizofurone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145611", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145611, "molecule_chembl_id": "CHEMBL2103763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.40", "alogp": "-0.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145618", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145618, "molecule_chembl_id": "CHEMBL3039335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ESTRADIOL CYPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2OC(=O)CCC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145619", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145619, "molecule_chembl_id": "CHEMBL15063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.69", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNc1nc(Cl)nc(NC(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145640", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-156707 SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145640, "molecule_chembl_id": "CHEMBL25438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.49", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-156707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\\C(=O)[O-])c2ccc3c(c2)OCO3)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145892", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERABELISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145892, "molecule_chembl_id": "CHEMBL3935857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.38", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Serabelisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959644", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLFOSCERIL PALMITATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959644, "molecule_chembl_id": "CHEMBL1200737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "734.05", "alogp": "10.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "colfosceril-palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.526", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959646", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POLAPREZINC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959646, "molecule_chembl_id": "CHEMBL242948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Carnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.981", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964254", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.64", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964254, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "230.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959419", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959419, "molecule_chembl_id": "CHEMBL2391908", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.77", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-54626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960589", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960589, "molecule_chembl_id": "CHEMBL4303404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960594", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960594, "molecule_chembl_id": "CHEMBL392068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.48", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY411575"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960030", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPYRIFOS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960030, "molecule_chembl_id": "CHEMBL463210", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.59", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORPYRIFOS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.506", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPIROXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955702, "molecule_chembl_id": "CHEMBL1566249", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampiroxicam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960279", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960279, "molecule_chembl_id": "CHEMBL4303200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.61", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Rifamycin SV sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960319", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960319, "molecule_chembl_id": "CHEMBL1376064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.82", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955935", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955935, "molecule_chembl_id": "CHEMBL1621528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.40", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Proxodolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960326", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960326, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955939", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THEOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955939, "molecule_chembl_id": "CHEMBL1318939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.85", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofilline clofibrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955940", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHAMBUTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955940, "molecule_chembl_id": "CHEMBL44884", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.31", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethambutol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964079", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EUFLAVINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964079, "molecule_chembl_id": "CHEMBL354349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACRIFLAVINIUM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964006", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOBRAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964006, "molecule_chembl_id": "CHEMBL1747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.52", "alogp": "-6.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TOBRAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964014", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PELANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964014, "molecule_chembl_id": "CHEMBL2110706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pelanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963910", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963910, "molecule_chembl_id": "CHEMBL472212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.51", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-431396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.082", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959387", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959387, "molecule_chembl_id": "CHEMBL4303628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.52", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "pinaverium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(C[N+]2(CCOCCC3CC[C@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964075", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964075, "molecule_chembl_id": "CHEMBL4303562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Deoxyglucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.768", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959609", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959609, "molecule_chembl_id": "CHEMBL1571863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Isoconazole nitrate (Travogen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8901", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964217", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.80", "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964217, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lansoprazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1600.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963723", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALLYLTHIOUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963723, "molecule_chembl_id": "CHEMBL1451910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "116.19", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLYLTHIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.682", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963726", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963726, "molecule_chembl_id": "CHEMBL4303303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.65", "alogp": "4.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HER2 Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1ccn2ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959123", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959123, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lansoprazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963734", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARITAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963734, "molecule_chembl_id": "CHEMBL3391662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "765.89", "alogp": "3.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Paritaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959018", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959018, "molecule_chembl_id": "CHEMBL302529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964157, "molecule_chembl_id": "CHEMBL1088844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.45", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DPO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959624", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIFONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959624, "molecule_chembl_id": "CHEMBL277535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BIFONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959630", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959630, "molecule_chembl_id": "CHEMBL3039191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIGOXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)C6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)C6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959381", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SORBITAN MONOSTEARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959381, "molecule_chembl_id": "CHEMBL3186117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.63", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sorbitan-monostearate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962835", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962835, "molecule_chembl_id": "CHEMBL284969", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.81", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-chloro-N6-cyclopentyladenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146224", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146224, "molecule_chembl_id": "CHEMBL224120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.45", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ademetionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957981", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHOSPHOENOLPYRUVATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957981, "molecule_chembl_id": "CHEMBL1235228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.04", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHOSPHOENOLPYRUVATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(OP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957984", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957984, "molecule_chembl_id": "CHEMBL316034", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,4-Pyridinedicarboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccnc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145658", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUCITANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145658, "molecule_chembl_id": "CHEMBL2220486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.50", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Lucitanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145660", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NETAZEPIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145660, "molecule_chembl_id": "CHEMBL324547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.59", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Netazepide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962498", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIVAGABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962498, "molecule_chembl_id": "CHEMBL1870796", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.24", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "pivagabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145495", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145495, "molecule_chembl_id": "CHEMBL4577351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C\\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145497", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145497, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145499", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145499, "molecule_chembl_id": "CHEMBL4303587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Tocofersolan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145504", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145504, "molecule_chembl_id": "CHEMBL412099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.82", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MF63"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3ccccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145755", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145755, "molecule_chembl_id": "CHEMBL4526077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.31", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c/c(=N/c2ccc(C)c(C)c2)n2ncnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145522", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIRSOCOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145522, "molecule_chembl_id": "CHEMBL3407547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.64", "alogp": "3.95", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ND-630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAVERIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145895, "molecule_chembl_id": "CHEMBL19633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIAVERIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2cnc(N)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150641", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAGOMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150641, "molecule_chembl_id": "CHEMBL108084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fagomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NCC[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145897", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEIC ACID ANILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145897, "molecule_chembl_id": "CHEMBL15611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.58", "alogp": "7.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oleyl Anilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145898", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145898, "molecule_chembl_id": "CHEMBL4303369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SP-141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145993", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145993, "molecule_chembl_id": "CHEMBL4303246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "966.23", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Zotarolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145777", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145777, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "alprostadil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962502", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962502, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "Rifapentine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145795", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145795, "molecule_chembl_id": "CHEMBL4092421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIPA-56"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)N(O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145540", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145540, "molecule_chembl_id": "CHEMBL4076247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.39", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-6640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145807", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLZIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145807, "molecule_chembl_id": "CHEMBL51396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rolziracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC2CCC(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957839", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957839, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRANLUKAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145808", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABX-1431", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145808, "molecule_chembl_id": "CHEMBL3945728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.40", "alogp": "5.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ABX-1431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152895, "molecule_chembl_id": "CHEMBL2031084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.53", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRT10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962746", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962746, "molecule_chembl_id": "CHEMBL1765602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.41", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "torin-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152900", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152900, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RESERPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153489", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPORINAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153489, "molecule_chembl_id": "CHEMBL566757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.52", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FK-866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148674", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148674, "molecule_chembl_id": "CHEMBL1234172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRESOPIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147824", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXSOTALOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147824, "molecule_chembl_id": "CHEMBL252312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.37", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Sotalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958490", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958490, "molecule_chembl_id": "CHEMBL168067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.44", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153678", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153678, "molecule_chembl_id": "CHEMBL257991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.57", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT 1720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153640", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REFAMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153640, "molecule_chembl_id": "CHEMBL1236682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.34", "alogp": "3.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "refametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153685", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINIFANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153685, "molecule_chembl_id": "CHEMBL223360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.41", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Linifanib (ABT-869)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153308", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOCYANINE GREEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153308, "molecule_chembl_id": "CHEMBL1615807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "754.01", "alogp": "9.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cardiogreen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2\\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153109", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153109, "molecule_chembl_id": "CHEMBL4303527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[S+]([O-])c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROSPIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149694, "molecule_chembl_id": "CHEMBL3084748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.97", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trospium chloride (Sanctura)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149050", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149050, "molecule_chembl_id": "CHEMBL2037226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.50", "alogp": "7.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-5837"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABC-294640", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153552, "molecule_chembl_id": "CHEMBL2158685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABC294640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150112", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150112, "molecule_chembl_id": "CHEMBL1607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.91", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Topotecan (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150098", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBUCOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150098, "molecule_chembl_id": "CHEMBL608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.86", "alogp": "9.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PROBUCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLITINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147932, "molecule_chembl_id": "CHEMBL149930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.77", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "meglitinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154622", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154622, "molecule_chembl_id": "CHEMBL4303620", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "451.55", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrintegrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCC1CC1)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150376", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOSURAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150376, "molecule_chembl_id": "CHEMBL567303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.54", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PALOSURAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148375", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBIDOXIME CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148375, "molecule_chembl_id": "CHEMBL291233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.21", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "obidoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148431", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONIPORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148431, "molecule_chembl_id": "CHEMBL355862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zoniporide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148485", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTIRELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148485, "molecule_chembl_id": "CHEMBL2107016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taltirelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152998", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INOSITOL NIACINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152998, "molecule_chembl_id": "CHEMBL1094982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "810.73", "alogp": "3.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Inositol nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148977", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148977, "molecule_chembl_id": "CHEMBL128672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ciproxifan Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148113", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148113, "molecule_chembl_id": "CHEMBL3397300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.03", "alogp": "5.40", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AP26113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148119", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACEMETYROSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148119, "molecule_chembl_id": "CHEMBL1330596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Metirosine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148000", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTALARMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148000, "molecule_chembl_id": "CHEMBL296641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.56", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "antalarmin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150370", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANETHIDINE MONOSULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150370, "molecule_chembl_id": "CHEMBL1345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANETHIDINE MONOSULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153064", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153064, "molecule_chembl_id": "CHEMBL1618199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.52", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IEM1460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152515", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152515, "molecule_chembl_id": "CHEMBL1231533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.23", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-604850"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153449", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153449, "molecule_chembl_id": "CHEMBL401570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.43", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-525334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149807", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149807, "molecule_chembl_id": "CHEMBL283800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "creatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152347", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152347, "molecule_chembl_id": "CHEMBL4303482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1440.59", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "bleomycetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)NC(C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)[C@@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154613", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154613, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152858", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152858, "molecule_chembl_id": "CHEMBL226838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-505124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150118", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150118, "molecule_chembl_id": "CHEMBL1543306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.62", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SF 11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148359", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TECOVIRIMAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148359, "molecule_chembl_id": "CHEMBL1257073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tecovirimat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152864", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOECHST 33258", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152864, "molecule_chembl_id": "CHEMBL301735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.51", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hoechst 33258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148233", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRANTEL PAMOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148233, "molecule_chembl_id": "CHEMBL1599768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "594.69", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrantel (pamoate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147896", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CG-400549", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147896, "molecule_chembl_id": "CHEMBL488937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.45", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-(3-amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148865", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPERODON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148865, "molecule_chembl_id": "CHEMBL2109119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "DIPERODON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961412", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DABIGATRAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961412, "molecule_chembl_id": "CHEMBL48361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.52", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BIBR 953 (Dabigatran etexilate; Pradaxa)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.359", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154444", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154444, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-CITRULLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148552, "molecule_chembl_id": "CHEMBL444814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.19", "alogp": "-1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Citrulline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148598", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148598, "molecule_chembl_id": "CHEMBL1616891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148688", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENLAFAXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148688, "molecule_chembl_id": "CHEMBL1201066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VENLAFAXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153108", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153108, "molecule_chembl_id": "CHEMBL140000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153111", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPRANOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153111, "molecule_chembl_id": "CHEMBL27", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXPROPRANOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152632", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELMISARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152632, "molecule_chembl_id": "CHEMBL1017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.63", "alogp": "7.26", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TELMISARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149853", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Ro-154513", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149853, "molecule_chembl_id": "CHEMBL6597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.32", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-15-4513"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154361", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154361, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMODIAQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16780.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153736", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARENICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153736, "molecule_chembl_id": "CHEMBL1396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.27", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARENICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc2cc3c(cc2n1)C1CNCC3C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153535", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMIPALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153535, "molecule_chembl_id": "CHEMBL1236962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.51", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Omipalisib (GSK2126458; GSK458)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149237", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROPIPRANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149237, "molecule_chembl_id": "CHEMBL426559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Laropiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152535", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152535, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIMOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148037", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERBARONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148037, "molecule_chembl_id": "CHEMBL1765797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.28", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "merbarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150085", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINEZOLID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150085, "molecule_chembl_id": "CHEMBL126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.35", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246624"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154589", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MGCD-265", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154589, "molecule_chembl_id": "CHEMBL254760", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "517.61", "alogp": "5.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MGCD-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148887", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148887, "molecule_chembl_id": "CHEMBL910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.56", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Desmethyl Sildenafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149164", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149164, "molecule_chembl_id": "CHEMBL212301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Arginine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153391", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153391, "molecule_chembl_id": "CHEMBL2133556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.52", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HC-067047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153854", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153854, "molecule_chembl_id": "CHEMBL4303670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.57", "alogp": "6.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGN 194310"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)O)cc4)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153795", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153795, "molecule_chembl_id": "CHEMBL2392553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "3.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ro3280"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149295", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FESOTERODINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149295, "molecule_chembl_id": "CHEMBL1201764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.59", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fesoterodine fumarate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150327", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150327, "molecule_chembl_id": "CHEMBL134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.10", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Cl)c1N=C1NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150328", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150328, "molecule_chembl_id": "CHEMBL514622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.45", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JK-184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153425", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPAFENONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153425, "molecule_chembl_id": "CHEMBL1201063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.91", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPAFENONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152512", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KRN-633", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152512, "molecule_chembl_id": "CHEMBL406381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KRN 633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153071", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153071, "molecule_chembl_id": "CHEMBL1712246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.78", "alogp": "8.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "fulvestrant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148013", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSILODROSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148013, "molecule_chembl_id": "CHEMBL3099695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.24", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "osilodrostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152517", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152517, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacidipine (Lacipil; Motens)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150341", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150341, "molecule_chembl_id": "CHEMBL400814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.63", "alogp": "3.96", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JMV 2959"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148581", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNC-80", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148581, "molecule_chembl_id": "CHEMBL13470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.64", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNC-80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149228", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXISYLYTE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149228, "molecule_chembl_id": "CHEMBL1256739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOXISYLYTE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153531", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153531, "molecule_chembl_id": "CHEMBL3883592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.82", "alogp": "3.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MM-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150351", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMINOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150351, "molecule_chembl_id": "CHEMBL1276342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.59", "alogp": "-1.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "cefminox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959850", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959850, "molecule_chembl_id": "CHEMBL4303603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.35", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PK-44 phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1n[nH]c2c(F)c(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964460", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964460, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "baicalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961254", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLERGONOVINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961254, "molecule_chembl_id": "CHEMBL1200843", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylergometrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961258", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961258, "molecule_chembl_id": "CHEMBL4303160", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT3190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961519", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KW-2478", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961519, "molecule_chembl_id": "CHEMBL4300557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "574.67", "alogp": "2.27", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "KW-2478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958391", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958391, "molecule_chembl_id": "CHEMBL1276946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.81", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GKT136901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145738", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145738, "molecule_chembl_id": "CHEMBL2431212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.32", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LSN-2463359"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958105", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREQUINAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958105, "molecule_chembl_id": "CHEMBL38434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.37", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BREQUINAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962255", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBADOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962255, "molecule_chembl_id": "CHEMBL13779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.23", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBADOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.354", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962256", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLINDOKALNER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962256, "molecule_chembl_id": "CHEMBL266510", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.71", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flindokalner"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152879", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152879, "molecule_chembl_id": "CHEMBL3901808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MS023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962075", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPOTHILONE D", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962075, "molecule_chembl_id": "CHEMBL96172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.69", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Epothilone D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.083", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957664", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABT 737", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957664, "molecule_chembl_id": "CHEMBL376408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "813.45", "alogp": "7.88", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ABT-737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146144", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146144, "molecule_chembl_id": "CHEMBL1673046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-92"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146145", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146145, "molecule_chembl_id": "CHEMBL301499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DHCaA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145809", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145809, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Avatrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145850", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145850, "molecule_chembl_id": "CHEMBL3774655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-CBP-112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146299", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146299, "molecule_chembl_id": "CHEMBL353187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145854", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145854, "molecule_chembl_id": "CHEMBL254778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.33", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-17203212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145780", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DCMU", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145780, "molecule_chembl_id": "CHEMBL278489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.10", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diuron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962193", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962193, "molecule_chembl_id": "CHEMBL324162", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ro 48-8071 (fumarate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145871", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZOLINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145871, "molecule_chembl_id": "CHEMBL3989840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.33", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ozolinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(N2CCCCC2)S/C1=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145729", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-406", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145729, "molecule_chembl_id": "CHEMBL2158051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.73", "alogp": "2.62", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AT-406"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145879", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145879, "molecule_chembl_id": "CHEMBL2181522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mTOR-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncccn2)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148985", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148985, "molecule_chembl_id": "CHEMBL3181805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.16", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-((Z)-3-Chloroallyl)-1;3;5;7-tetraazaadamantan-1-ium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl/C=C\\C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153228", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORSOMORPHIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153228, "molecule_chembl_id": "CHEMBL478629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.50", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dorsomorphin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148995", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148995, "molecule_chembl_id": "CHEMBL4303154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.52", "alogp": "-0.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Oleuropein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSPEMIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152988, "molecule_chembl_id": "CHEMBL2105395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ospemifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152434", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CONIVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152434, "molecule_chembl_id": "CHEMBL1755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.59", "alogp": "6.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CONIVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152436", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMEXADOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152436, "molecule_chembl_id": "CHEMBL578767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.22", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flumexadol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(C2CNCCO2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147933", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-NADOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147933, "molecule_chembl_id": "CHEMBL400326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nadolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152924", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152924, "molecule_chembl_id": "CHEMBL1271764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.65", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119792"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152438", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILCICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152438, "molecule_chembl_id": "CHEMBL564829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.59", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PHA-848125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152444", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BILASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152444, "molecule_chembl_id": "CHEMBL1742423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.62", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bilastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153462", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYSTILBAMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153462, "molecule_chembl_id": "CHEMBL1301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxystilbamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148968", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-8033", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148968, "molecule_chembl_id": "CHEMBL2323775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.54", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148394", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148394, "molecule_chembl_id": "CHEMBL522770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.37", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-706375"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149800", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149800, "molecule_chembl_id": "CHEMBL1230640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153121", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153121, "molecule_chembl_id": "CHEMBL3039338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AJMALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1C2CC3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2C5O)N3[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148826", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148826, "molecule_chembl_id": "CHEMBL3798382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.91", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT-251921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153212", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSFRUCTOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153212, "molecule_chembl_id": "CHEMBL2111113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.11", "alogp": "-2.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D-Fructose-1;6-diphosphate trisodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149040", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149040, "molecule_chembl_id": "CHEMBL1996872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.44", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N;N-Bis(2-hydroxyethyl)dodecanamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)N(CCO)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148879", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-IBUPROPHEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148879, "molecule_chembl_id": "CHEMBL427526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "IBUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956321", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956321, "molecule_chembl_id": "CHEMBL93215", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC95682"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Br)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961259", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APROCITENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961259, "molecule_chembl_id": "CHEMBL2165326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.20", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Aprocitentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961541", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-3759", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961541, "molecule_chembl_id": "CHEMBL3623290", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.91", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD3759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955560", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETAPAMULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955560, "molecule_chembl_id": "CHEMBL1658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.78", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Retapamulin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955566", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPINEPHRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955566, "molecule_chembl_id": "CHEMBL679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-34.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153707", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153707, "molecule_chembl_id": "CHEMBL4575419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "670.86", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SAQUINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147999", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147999, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIRABEGRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154021", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTIRACICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154021, "molecule_chembl_id": "CHEMBL1944698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.47", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TG-02"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152506", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINAFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152506, "molecule_chembl_id": "CHEMBL278255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.79", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clinafloxacin (PD127391)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964465", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964465, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149524", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149524, "molecule_chembl_id": "CHEMBL4303729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.54", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX8394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149037", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149037, "molecule_chembl_id": "CHEMBL3427690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.48", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 48 [PMID: 25815140]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1nc(NCc1ccc(-c3ccccc3)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148454", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148454, "molecule_chembl_id": "CHEMBL1234268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153333", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUBITECAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153333, "molecule_chembl_id": "CHEMBL77305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.36", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "9-Nitrocamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153140", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153140, "molecule_chembl_id": "CHEMBL1200438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.72", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TIOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960274", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960274, "molecule_chembl_id": "CHEMBL377219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.16", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-438079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961195", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961195, "molecule_chembl_id": "CHEMBL4290012", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "602.71", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "abemaciclib (LY2835219)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960211", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960211, "molecule_chembl_id": "CHEMBL1375018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.37", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ER-27319 maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(=O)c3ccccc3n(CCCN)c2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958548", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIFFRACTAIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958548, "molecule_chembl_id": "CHEMBL367741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.39", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFFRACTAIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959281", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959281, "molecule_chembl_id": "CHEMBL3039358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.45", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Andrographolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.685", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CCC2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960732", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960732, "molecule_chembl_id": "CHEMBL2138625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.01", "alogp": "4.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AV-412 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960568", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SGX-523", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960568, "molecule_chembl_id": "CHEMBL1236107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGX-523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960208", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLTHIOURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960208, "molecule_chembl_id": "CHEMBL1330588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "142.18", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLTHIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959318", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959318, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "CANDESARTAN CILEXTIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959323", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFONICID SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959323, "molecule_chembl_id": "CHEMBL1201005", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "586.54", "alogp": "-0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefonicid (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955515", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955515, "molecule_chembl_id": "CHEMBL4303401", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "127.12", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(5-fluoro-3-pyridyl)methanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cncc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964090", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964090, "molecule_chembl_id": "CHEMBL88553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1757"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c(/N=N/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964095", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964095, "molecule_chembl_id": "CHEMBL3186774", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959500", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959500, "molecule_chembl_id": "CHEMBL549485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.40", "alogp": "-1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ginkgolide-b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964110", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAICALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964110, "molecule_chembl_id": "CHEMBL485818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.36", "alogp": "0.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Baicalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959194", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959194, "molecule_chembl_id": "CHEMBL3039081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Strophantidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CCC2C1=CC(=O)OC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963900", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIACETAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963900, "molecule_chembl_id": "CHEMBL2106185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIACETAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.531", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960121", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMPHOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960121, "molecule_chembl_id": "CHEMBL504760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-Camphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956061", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDINAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956061, "molecule_chembl_id": "CHEMBL115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.80", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir sulfate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963431", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963431, "molecule_chembl_id": "CHEMBL304253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tolonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958836", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOMOCHLORCYCLIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958836, "molecule_chembl_id": "CHEMBL1515447", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Homochlorcyclizine\u00e12HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959344", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959344, "molecule_chembl_id": "CHEMBL285718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-P-PDOT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960576", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CREATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960576, "molecule_chembl_id": "CHEMBL283800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "creatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958841", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958841, "molecule_chembl_id": "CHEMBL4303155", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06463922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.547", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963058", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963058, "molecule_chembl_id": "CHEMBL4303440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.43", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(4-fluorophenyl)-4-(3;4;5-trimethoxybenzyl)piperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9729", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958848", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFAMANDOLE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958848, "molecule_chembl_id": "CHEMBL1360024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.50", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cefamandole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963137", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAVABOROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963137, "molecule_chembl_id": "CHEMBL443052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.93", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Tavaborole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(F)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962824", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962824, "molecule_chembl_id": "CHEMBL812", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.12", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyridostigmine Bromide (Mestinon)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.431", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963742", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963742, "molecule_chembl_id": "CHEMBL492884", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.35", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF10460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955708", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955708, "molecule_chembl_id": "CHEMBL234432", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "-3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCOSAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964172", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964172, "molecule_chembl_id": "CHEMBL4303158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "740.49", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "G-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2.Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955905", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHAZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955905, "molecule_chembl_id": "CHEMBL19", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methazolamide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152318", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW549034X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152318, "molecule_chembl_id": "CHEMBL365286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW549034X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152319", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM ASCORBATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152319, "molecule_chembl_id": "CHEMBL591665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.11", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Sodium ascorbate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959286", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959286, "molecule_chembl_id": "CHEMBL3092536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+)-HIGENAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959192, "molecule_chembl_id": "CHEMBL501778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.32", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6;7-Dihydroxy-1-(4-Hydroxybenzyl)-1;2;3;4-tetrahydroisoquinoline Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIMOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959300, "molecule_chembl_id": "CHEMBL2106730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958913", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958913, "molecule_chembl_id": "CHEMBL3039315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE CAPROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963307", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963307, "molecule_chembl_id": "CHEMBL566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "112.09", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "URACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960833", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-690693", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960833, "molecule_chembl_id": "CHEMBL494089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK690693"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958433", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958433, "molecule_chembl_id": "CHEMBL4303495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.61", "alogp": "6.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Gue 1654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963040", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NSI-189", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963040, "molecule_chembl_id": "CHEMBL4302505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.51", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NSI-189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963046", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCROSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963046, "molecule_chembl_id": "CHEMBL253582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "sucrose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963049", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOMELUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963049, "molecule_chembl_id": "CHEMBL162358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 171883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147196", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147196, "molecule_chembl_id": "CHEMBL1206440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957055", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957055, "molecule_chembl_id": "CHEMBL562551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.70", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0361737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccccn2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151837", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZUFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151837, "molecule_chembl_id": "CHEMBL240163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.30", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pazufloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957612", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957612, "molecule_chembl_id": "CHEMBL69367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146078", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146078, "molecule_chembl_id": "CHEMBL106092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.66", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SDZ-NKT-343"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962230", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962230, "molecule_chembl_id": "CHEMBL1518173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2cc(C3=NCCN3)ncc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150582", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150582, "molecule_chembl_id": "CHEMBL595092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.88", "alogp": "8.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM679"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OC[C@@H]5Cc6ccccc6N5C(C)=O)ccc43)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151909", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151909, "molecule_chembl_id": "CHEMBL444478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "624.59", "alogp": "-1.02", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Verbascoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956959", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956959, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS-777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151202, "molecule_chembl_id": "CHEMBL309339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYLHYDROXAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151545", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151545, "molecule_chembl_id": "CHEMBL557555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.16", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciprofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151149", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151149, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IRBESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147445, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146715", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTENZEPAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146715, "molecule_chembl_id": "CHEMBL17045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Otenzepad\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152694, "molecule_chembl_id": "CHEMBL3920301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.40", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-648764"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147860", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147860, "molecule_chembl_id": "CHEMBL4296718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAZ2-ICR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148077", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148077, "molecule_chembl_id": "CHEMBL1651026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1393.68", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "[Sar9;Met(O2)11]-Substance P"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148078", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPH", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148078, "molecule_chembl_id": "CHEMBL268868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.36", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-52411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963761", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTENAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963761, "molecule_chembl_id": "CHEMBL1200397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.94", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Butenafine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959568", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959568, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Uridine triphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955790", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMIFAMPRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955790, "molecule_chembl_id": "CHEMBL354077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amifampridine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963770", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEDAQUILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963770, "molecule_chembl_id": "CHEMBL376488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.52", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bedaquiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963771", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963771, "molecule_chembl_id": "CHEMBL473186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.33", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-127445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.716", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962825", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MERICITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962825, "molecule_chembl_id": "CHEMBL562967", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.42", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mericitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960423", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATRASENTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960423, "molecule_chembl_id": "CHEMBL2106068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.09", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Atrasentan (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959666", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959666, "molecule_chembl_id": "CHEMBL4303409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.32", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzenemethanol;-2;5-dimethyl-[[(1-methylethyl)amino]methyl]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(C(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955853", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMOBENDAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955853, "molecule_chembl_id": "CHEMBL24646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pimobendan\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959147", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALOMID-529", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959147, "molecule_chembl_id": "CHEMBL2141712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Palomid 529"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963753", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW843682X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963753, "molecule_chembl_id": "CHEMBL514499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-843682X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.079", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955958", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXIFLURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955958, "molecule_chembl_id": "CHEMBL1130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "5-Fluorodeoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955961", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFLORNITHINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955961, "molecule_chembl_id": "CHEMBL830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eflornithine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(N)(C(=O)O)C(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955785", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955785, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rosmarinic_acid\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "9-AMINOCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960082, "molecule_chembl_id": "CHEMBL274070", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.37", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "9-aminocamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956121", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORTIOXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956121, "molecule_chembl_id": "CHEMBL2104993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.46", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORTIOXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960904", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AKLOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960904, "molecule_chembl_id": "CHEMBL1450565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.58", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AKLOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc([N+](=O)[O-])cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956305", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956305, "molecule_chembl_id": "CHEMBL3582252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-1/PD-L1 inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959086", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ILOPROST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959086, "molecule_chembl_id": "CHEMBL494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.49", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Iloprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957635", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957635, "molecule_chembl_id": "CHEMBL402548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Danusertib (PHA-739358)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957810", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957810, "molecule_chembl_id": "CHEMBL405759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TWS119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962312", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALMATINE CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962312, "molecule_chembl_id": "CHEMBL274189", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.86", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Palmatine chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.998", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960157, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERPHENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959780", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMOXAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959780, "molecule_chembl_id": "CHEMBL1113", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOXAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960893", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960893, "molecule_chembl_id": "CHEMBL1204168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.67", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959612", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959612, "molecule_chembl_id": "CHEMBL1416055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.52", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PETCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](Cc1ccncc1)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964260", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.47", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964260, "molecule_chembl_id": "CHEMBL3747259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "718.62", "alogp": "3.33", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Salvianolic_acid B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3420.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964030", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964030, "molecule_chembl_id": "CHEMBL1594610", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.28", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-86002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959017", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRADIOL VALERATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959017, "molecule_chembl_id": "CHEMBL1511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ESTRADIOL VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959024", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959024, "molecule_chembl_id": "CHEMBL3927655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BQU57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2c1C(c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960771", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960771, "molecule_chembl_id": "CHEMBL13883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Vanillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.064", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960778", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLPREDNISOLONE ACEPONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960778, "molecule_chembl_id": "CHEMBL1697782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.58", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylprednisolone-aceponate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955817", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VISMODEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955817, "molecule_chembl_id": "CHEMBL473417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.31", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vismodegib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960393", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960393, "molecule_chembl_id": "CHEMBL224720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "7.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SEW-2871"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956041", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMYGDALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956041, "molecule_chembl_id": "CHEMBL461727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.43", "alogp": "-3.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Amygdalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960819", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960819, "molecule_chembl_id": "CHEMBL103469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX-516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.861", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961508", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENACEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961508, "molecule_chembl_id": "CHEMBL918", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENACEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NC(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149944", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149944, "molecule_chembl_id": "CHEMBL22587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "itraconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154447", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154447, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU7441(KU-57788)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "580.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153692", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153692, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152629", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152629, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baricitinib (LY3009104)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154019", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154019, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Digitoxin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153989", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153989, "molecule_chembl_id": "CHEMBL3237589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.56", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EHop-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963870", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MELPERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963870, "molecule_chembl_id": "CHEMBL1531134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.36", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "melperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959860", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPOBENIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959860, "molecule_chembl_id": "CHEMBL1418182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.36", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPOBENIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964488", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964488, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153122", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153122, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153204", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153204, "molecule_chembl_id": "CHEMBL377219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.16", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 438079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148620", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFETAMET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148620, "molecule_chembl_id": "CHEMBL2103764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cefetamet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961569", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961569, "molecule_chembl_id": "CHEMBL473104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NNC-711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961646", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZONIPORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961646, "molecule_chembl_id": "CHEMBL355862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zoniporide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.435", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960454", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960454, "molecule_chembl_id": "CHEMBL1200596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.05", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963087", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METOCLOPRAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963087, "molecule_chembl_id": "CHEMBL1200940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.28", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOCLOPRAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963697", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIP HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963697, "molecule_chembl_id": "CHEMBL1255746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.60", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gaboxadol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1noc2c1CCNC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959643", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDAPAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959643, "molecule_chembl_id": "CHEMBL406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDAPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964255", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.52", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964255, "molecule_chembl_id": "CHEMBL488755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAS-103 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2990.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959654", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIROCTONE OLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959654, "molecule_chembl_id": "CHEMBL2107154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROCTONE OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.202", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964268", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.44", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964268, "molecule_chembl_id": "CHEMBL4303331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "0.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Myricitrin (Myricitrine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3660.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958558", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958558, "molecule_chembl_id": "CHEMBL83616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.92", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TANOMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958635", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958635, "molecule_chembl_id": "CHEMBL83521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.64", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLAZURIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.847", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959400", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959400, "molecule_chembl_id": "CHEMBL4303489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "792.02", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ascomycin (FK520)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1/C=C(\\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959702, "molecule_chembl_id": "CHEMBL1371857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.98", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "altanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964312", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.30", "bao_label": "assay format", "molecule_pref_name": "EUFLAVINE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964312, "molecule_chembl_id": "CHEMBL354349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.74", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACRIFLAVINIUM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4980.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964007", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOFOGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964007, "molecule_chembl_id": "CHEMBL2110731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.44", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tofogliflozin (hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959398", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OZOLINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959398, "molecule_chembl_id": "CHEMBL3989840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.33", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ozolinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(N2CCCCC2)S/C1=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959602", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959602, "molecule_chembl_id": "CHEMBL3040629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LSM-1910"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC2C3CC(CN12)[C@@H]1CCCCN1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959556, "molecule_chembl_id": "CHEMBL505308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.23", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964244", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.85", "bao_label": "assay format", "molecule_pref_name": "PX-12", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964244, "molecule_chembl_id": "CHEMBL406050", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.32", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PX-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)SSc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963988, "molecule_chembl_id": "CHEMBL257991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.57", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT1720 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960062", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALONOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960062, "molecule_chembl_id": "CHEMBL1720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.88", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Palonosetron HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9864", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960071", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OTENABANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960071, "molecule_chembl_id": "CHEMBL562668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.43", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Otenabant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.421", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960075", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960075, "molecule_chembl_id": "CHEMBL410456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-4476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-90.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960076", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960076, "molecule_chembl_id": "CHEMBL3222141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.36", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AK-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150810", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RSV-604", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150810, "molecule_chembl_id": "CHEMBL223402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.40", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RSV604"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958382", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958382, "molecule_chembl_id": "CHEMBL910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.56", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Desmethyl Sildenafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145742", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145742, "molecule_chembl_id": "CHEMBL3273984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxyprogesterone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146240", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146240, "molecule_chembl_id": "CHEMBL444309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-741742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962730", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEVONEDISTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962730, "molecule_chembl_id": "CHEMBL2364622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.99", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pevonedistat hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962100", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GERMANIUM SESQUIOXIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962100, "molecule_chembl_id": "CHEMBL1095301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.36", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "propagermanium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150813", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150813, "molecule_chembl_id": "CHEMBL541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150759", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150759, "molecule_chembl_id": "CHEMBL4303484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.64", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICG-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962265", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962265, "molecule_chembl_id": "CHEMBL117225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.74", "alogp": "5.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UK-356618"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.064", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957665", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFAZODONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957665, "molecule_chembl_id": "CHEMBL623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.02", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFAZODONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151131", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLBORONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151131, "molecule_chembl_id": "CHEMBL21485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.93", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PHENYLBORONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150820", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150820, "molecule_chembl_id": "CHEMBL4303405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N?\u00c5\u0092-Diacetyl-L-cystine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957852", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLIDINIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957852, "molecule_chembl_id": "CHEMBL620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.45", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIDINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962458", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NARATRIPTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962458, "molecule_chembl_id": "CHEMBL1200601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.93", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naratriptan HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957857", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEMETREXED", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957857, "molecule_chembl_id": "CHEMBL225072", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pemetrexed"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962715", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962715, "molecule_chembl_id": "CHEMBL3039201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1701.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "TANNIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962506", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILASTATIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962506, "molecule_chembl_id": "CHEMBL1201057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.44", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilastatin Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962269", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962269, "molecule_chembl_id": "CHEMBL3774655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-CBP-112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957670", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957670, "molecule_chembl_id": "CHEMBL1774055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146426", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146426, "molecule_chembl_id": "CHEMBL1172665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.40", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119849"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/N=c2\\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150628", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150628, "molecule_chembl_id": "CHEMBL4303271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ivabradine HCl (Procoralan)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@@H]1Cc3cc(OC)c(OC)cc31)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962732", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PI-103", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962732, "molecule_chembl_id": "CHEMBL573339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI-103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962744", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERBINAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962744, "molecule_chembl_id": "CHEMBL1200832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.90", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBINAFINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.375", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958396", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACECLIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958396, "molecule_chembl_id": "CHEMBL20835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.22", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-aceclidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962170", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962170, "molecule_chembl_id": "CHEMBL411221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957573", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THYMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957573, "molecule_chembl_id": "CHEMBL52609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "thymidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153684", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153684, "molecule_chembl_id": "CHEMBL4098253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153197", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CI-1040", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153197, "molecule_chembl_id": "CHEMBL105442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.66", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CI-1040 (PD184352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153658", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CI-1040", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153658, "molecule_chembl_id": "CHEMBL105442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.66", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CI-1040 (PD184352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154205", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.64", "bao_label": "organism-based format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154205, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "APITOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2310.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150049", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150049, "molecule_chembl_id": "CHEMBL389348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB290157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153214", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPROLIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153214, "molecule_chembl_id": "CHEMBL97350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.79", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPROLIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148634", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148634, "molecule_chembl_id": "CHEMBL353335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.76", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-81297"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148718", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148718, "molecule_chembl_id": "CHEMBL3188597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153771", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153771, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ponatinib (AP24534)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153270", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IT-139", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153270, "molecule_chembl_id": "CHEMBL4297410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.15", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "image_file": "metalContaining.svg", "compound_key": "NKP-1339"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148776", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROBALZOTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148776, "molecule_chembl_id": "CHEMBL1628569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.39", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "robalzotan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958191", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958191, "molecule_chembl_id": "CHEMBL1612423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.89", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119387"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148492", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148492, "molecule_chembl_id": "CHEMBL4303633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Nastorazepide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147935", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147935, "molecule_chembl_id": "CHEMBL2106042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "667.21", "alogp": "12.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "avridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962279", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962279, "molecule_chembl_id": "CHEMBL513181", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "-1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-9187"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957862", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APREPITANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957862, "molecule_chembl_id": "CHEMBL1471", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "APREPITANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152888", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN AG-1478", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152888, "molecule_chembl_id": "CHEMBL7917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.76", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153472", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2090314", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153472, "molecule_chembl_id": "CHEMBL362558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.55", "alogp": "3.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LY2090314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957484", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVANAFIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957484, "molecule_chembl_id": "CHEMBL1963681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.96", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AVANAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C/N=c2\\[nH]c(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957486", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDARUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957486, "molecule_chembl_id": "CHEMBL1117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.50", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ML069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958145", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958145, "molecule_chembl_id": "CHEMBL1509639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.23", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Methoxybenzimidazole-2-thiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(S)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148669", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICAGRELOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148669, "molecule_chembl_id": "CHEMBL398435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ticagrelor\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957681", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FINGOLIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957681, "molecule_chembl_id": "CHEMBL314854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.48", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FINGOLIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962286", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTOXIFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962286, "molecule_chembl_id": "CHEMBL628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOXIFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957686", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957686, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "quinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "S-TRITYL-L-CYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957955, "molecule_chembl_id": "CHEMBL392695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.48", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-TRITYL-L-CYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957867", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURVALANOLA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957867, "molecule_chembl_id": "CHEMBL23327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "purvalanol A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962470", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962470, "molecule_chembl_id": "CHEMBL509051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.67", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FERb-033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962476", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLEROXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962476, "molecule_chembl_id": "CHEMBL6273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fleroxacin (Quinodis)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957875", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NS-398", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957875, "molecule_chembl_id": "CHEMBL7162", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.36", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-398"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962571", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962571, "molecule_chembl_id": "CHEMBL273862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.36", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "10-Hydroxycamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962574", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962574, "molecule_chembl_id": "CHEMBL4303356", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefathiamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CS/C(=N/C(C)C)NC(C)C)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957585", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOCINOLONE ACETONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957585, "molecule_chembl_id": "CHEMBL989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.49", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluocinolone acetonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145714", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145714, "molecule_chembl_id": "CHEMBL3112866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.41", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR260301"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145847", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145847, "molecule_chembl_id": "CHEMBL3785703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.40", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962709", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-593", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962709, "molecule_chembl_id": "CHEMBL2180604", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.48", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TAK-593"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152325", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLOMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152325, "molecule_chembl_id": "CHEMBL1200500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM002699895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153812", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOLASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153812, "molecule_chembl_id": "CHEMBL1233528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.83", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "VOLASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152334, "molecule_chembl_id": "CHEMBL284954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-297006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147830", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147830, "molecule_chembl_id": "CHEMBL3581764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.30", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O4I1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(CC#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152336", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENAMIC ACID ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152336, "molecule_chembl_id": "CHEMBL23832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "FENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148202, "molecule_chembl_id": "CHEMBL39372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-carboxy-3-hydroxyphenylglycine-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152713", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPIRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152713, "molecule_chembl_id": "CHEMBL25", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aspirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147844", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALOTILATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147844, "molecule_chembl_id": "CHEMBL1697754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Malotilate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153316", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELICICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153316, "molecule_chembl_id": "CHEMBL14762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.46", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SELICICLIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152872", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152872, "molecule_chembl_id": "CHEMBL2070953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.60", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149156", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149156, "molecule_chembl_id": "CHEMBL3391735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.54", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEPHENIUM HYDROXYNAPTHOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1ccc2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150226", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150226, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMPRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152946", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152946, "molecule_chembl_id": "CHEMBL6259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.40", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Difloxacin hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961274", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALRESTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961274, "molecule_chembl_id": "CHEMBL63055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALRESTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3696", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961192, "molecule_chembl_id": "CHEMBL3589039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.60", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ020411 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961047", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXFOSFOSERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961047, "molecule_chembl_id": "CHEMBL284377", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.07", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXFOSFOSERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](COP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956279", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956279, "molecule_chembl_id": "CHEMBL465980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961062", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961062, "molecule_chembl_id": "CHEMBL4303434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "575.53", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-760735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961527", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAPYRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961527, "molecule_chembl_id": "CHEMBL700", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.30", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAPYRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961528", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961528, "molecule_chembl_id": "CHEMBL4303296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961042", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961042, "molecule_chembl_id": "CHEMBL2180603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKLB1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961154", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZATHIOPRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961154, "molecule_chembl_id": "CHEMBL1542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZATHIOPRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961243", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961243, "molecule_chembl_id": "CHEMBL196945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.17", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Itanapraced"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.967", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146298, "molecule_chembl_id": "CHEMBL38686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF89976A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145706", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145706, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETRAVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962183", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZACITIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962183, "molecule_chembl_id": "CHEMBL1489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZACITIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149144", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENTIOPICROSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149144, "molecule_chembl_id": "CHEMBL508320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.33", "alogp": "-1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gentiopicrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153405, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Posaconazole\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149062", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149062, "molecule_chembl_id": "CHEMBL431298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.00", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 271046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152221", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152221, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pranlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961831", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961831, "molecule_chembl_id": "CHEMBL558805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.44", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benztropine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.641", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963472", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963472, "molecule_chembl_id": "CHEMBL4303329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JSH-23"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08192", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NCCCc2ccccc2)c(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957265", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDOXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957265, "molecule_chembl_id": "CHEMBL1269025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.07", "alogp": "1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "EDOXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962112", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "O-CHLOROACETYLCARBAMOYLFUMAGILLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962112, "molecule_chembl_id": "CHEMBL424278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TNP-470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961868", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961868, "molecule_chembl_id": "CHEMBL1316265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.66", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OMDM-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.361", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957328", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORPHENADRINE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957328, "molecule_chembl_id": "CHEMBL1200395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.51", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Orphenadrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961928", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DECAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961928, "molecule_chembl_id": "CHEMBL1134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.30", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DECAMETHONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147790", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBROTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147790, "molecule_chembl_id": "CHEMBL1742471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ebrotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147792", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147792, "molecule_chembl_id": "CHEMBL292411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mandelic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOSUFLOXACIN TOSYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152300, "molecule_chembl_id": "CHEMBL104270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.55", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tosufloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147796", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHENODIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147796, "molecule_chembl_id": "CHEMBL240597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chenodeoxycholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147631", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147631, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHR-6494"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147634", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147634, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG 487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152142", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARIBAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152142, "molecule_chembl_id": "CHEMBL515408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.24", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Maribavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958629", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958629, "molecule_chembl_id": "CHEMBL327783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPCCOEt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.248", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C12CC1/C(=N\\O)c1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958632", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958632, "molecule_chembl_id": "CHEMBL432527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.69", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TERFENADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152161", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152161, "molecule_chembl_id": "CHEMBL543846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.62", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fig 11A, B8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(C=O)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958877", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958877, "molecule_chembl_id": "CHEMBL1598680", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.53", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICARDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963202, "molecule_chembl_id": "CHEMBL1315073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quipazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O.c1ccc2nc(N3CCNCC3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958691", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIPRANAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958691, "molecule_chembl_id": "CHEMBL222559", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "602.68", "alogp": "7.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tipranavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963267", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXYAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963267, "molecule_chembl_id": "CHEMBL1609430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "83.52", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "methoxyamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957048", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MALEIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957048, "molecule_chembl_id": "CHEMBL539648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "116.07", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MALEIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151546", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILTIAZEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151546, "molecule_chembl_id": "CHEMBL23", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.53", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diltiazem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963854", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZALEPLON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963854, "molecule_chembl_id": "CHEMBL1521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALEPLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151555", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCINAPLON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151555, "molecule_chembl_id": "CHEMBL2105199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.31", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ocinaplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146716", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146716, "molecule_chembl_id": "CHEMBL1403509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.82", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-10191584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963252", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXALIPLATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963252, "molecule_chembl_id": "CHEMBL414804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 4, "image_file": "smallMolecule.svg", "compound_key": "OXALIPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146720", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LENALIDOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146720, "molecule_chembl_id": "CHEMBL848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.26", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lenalidomide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963261", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963261, "molecule_chembl_id": "CHEMBL1483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.415", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152284", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152284, "molecule_chembl_id": "CHEMBL32", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959941", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959941, "molecule_chembl_id": "CHEMBL226630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK 383367"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959959", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959959, "molecule_chembl_id": "CHEMBL15927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.48", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "oleamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148257", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148257, "molecule_chembl_id": "CHEMBL525239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.25", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zeatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\CNc1ncnc2[nH]cnc12)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147800", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPLOSALSALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147800, "molecule_chembl_id": "CHEMBL350343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acetylsalicylsalicylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152456", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152456, "molecule_chembl_id": "CHEMBL1499658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.49", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086036"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-n2c(SCc3cc(=O)oc4cc(O)c(O)cc34)nc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957412", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVELESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957412, "molecule_chembl_id": "CHEMBL3617964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "alvelestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962013", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962013, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ritonavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957416", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-269962A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957416, "molecule_chembl_id": "CHEMBL220241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.61", "alogp": "3.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK269962A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957420", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXAZOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957420, "molecule_chembl_id": "CHEMBL707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.48", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXAZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957441", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAFAMIDIS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957441, "molecule_chembl_id": "CHEMBL2103837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAFAMIDIS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962042", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METRONIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962042, "molecule_chembl_id": "CHEMBL137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METRONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957444", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957444, "molecule_chembl_id": "CHEMBL514201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.01", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962205", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-8033", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962205, "molecule_chembl_id": "CHEMBL2323775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.54", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956723", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956723, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERIFLUNOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151280", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESAPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151280, "molecule_chembl_id": "CHEMBL1983100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.34", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Esaprazole hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCNCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146469", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146469, "molecule_chembl_id": "CHEMBL4303687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Omberacetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147412", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147412, "molecule_chembl_id": "CHEMBL159776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pramiracetam hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151820", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZAGREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151820, "molecule_chembl_id": "CHEMBL11662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OZAGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961836", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPYLTHIOURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961836, "molecule_chembl_id": "CHEMBL1518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.24", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPYLTHIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148283", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148283, "molecule_chembl_id": "CHEMBL90568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIOSMETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148169", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPROSTENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148169, "molecule_chembl_id": "CHEMBL37853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.92", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Cloprostenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956097", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARAVIROC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956097, "molecule_chembl_id": "CHEMBL1201187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Maraviroc\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960872", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-METHOXYCINNAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960872, "molecule_chembl_id": "CHEMBL95770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-Methoxycinnamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956331", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956331, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961604", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961604, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Myricetin (Cannabiscetin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956165", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEVANIMIBE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956165, "molecule_chembl_id": "CHEMBL46423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.63", "alogp": "6.63", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ATR-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960598", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960598, "molecule_chembl_id": "CHEMBL214529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.44", "alogp": "5.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS-587101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C(=O)O)cs1)C[C@H]2c1ccc(C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960035", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960035, "molecule_chembl_id": "CHEMBL4303141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "809.57", "alogp": "9.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2838232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.133", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRALSETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956334, "molecule_chembl_id": "CHEMBL4582651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "533.61", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "BLU-667"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961578", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961578, "molecule_chembl_id": "CHEMBL1240885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.23", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-57380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961091", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUCITANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961091, "molecule_chembl_id": "CHEMBL2220486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.50", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Lucitanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956320", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956320, "molecule_chembl_id": "CHEMBL2177300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.92", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "I-BET726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961484", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961484, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin 9 (SF 6847)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961299", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TXA127", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961299, "molecule_chembl_id": "CHEMBL3545347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "899.02", "alogp": "-1.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Angiotensin (1-7)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.619", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963764", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963764, "molecule_chembl_id": "CHEMBL4073922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "691.64", "alogp": "8.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK-2193874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963921", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COTININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963921, "molecule_chembl_id": "CHEMBL578211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.22", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(-)-Cotinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC[C@H]1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955859", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERTEBEREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955859, "molecule_chembl_id": "CHEMBL278703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Erteberel\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960639", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOLYLPROPIONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960639, "molecule_chembl_id": "CHEMBL207225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Indolepropionic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956143", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956143, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956101", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956101, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Reparixin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955818", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BELINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955818, "molecule_chembl_id": "CHEMBL408513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.35", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Belinostat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959330", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALTREXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959330, "molecule_chembl_id": "CHEMBL1201149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.87", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALTREXONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956125", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BX-795", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956125, "molecule_chembl_id": "CHEMBL577784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.48", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BX-795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963206", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963206, "molecule_chembl_id": "CHEMBL59532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.32", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-81723"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.013", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956895, "molecule_chembl_id": "CHEMBL2030402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.72", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL413"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961980", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMFLUTIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961980, "molecule_chembl_id": "CHEMBL2106558", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.25", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amflutizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.324", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957382", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957382, "molecule_chembl_id": "CHEMBL3414574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EI1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152261", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAGNOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152261, "molecule_chembl_id": "CHEMBL180920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Magnolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964493", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964493, "molecule_chembl_id": "CHEMBL284861", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "222.27", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TDZD-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cn1sc(=O)n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958209", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958209, "molecule_chembl_id": "CHEMBL2398111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.92", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PT 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/C=C3/S/C(=N\\c4ccc(Cl)c(C(=O)O)c4)NC3=O)o2)c([N+](=O)[O-])cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963952", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963952, "molecule_chembl_id": "CHEMBL483348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DR-2313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(c(=O)[nH]1)CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957607", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957607, "molecule_chembl_id": "CHEMBL2204995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "541.70", "alogp": "4.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK343"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961848", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPOTIAZINE PALMITATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961848, "molecule_chembl_id": "CHEMBL2106439", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "714.09", "alogp": "10.06", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "pipotiazine-palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146778", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146778, "molecule_chembl_id": "CHEMBL4303390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY393558"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1Cc2cc(S(C)(=O)=O)ccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151175", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVABRADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151175, "molecule_chembl_id": "CHEMBL471737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ivabradine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151181", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HINOKITIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151181, "molecule_chembl_id": "CHEMBL48310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HINOKITIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc(=O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959935", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959935, "molecule_chembl_id": "CHEMBL1256839", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.93", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YS-035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.974", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959993", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959993, "molecule_chembl_id": "CHEMBL3417395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.48", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAM7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.526", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146682", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146682, "molecule_chembl_id": "CHEMBL2110370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-159897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957054", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957054, "molecule_chembl_id": "CHEMBL1200596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.05", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146684", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146684, "molecule_chembl_id": "CHEMBL1160131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.34", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PG-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150946", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMUSTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150946, "molecule_chembl_id": "CHEMBL136737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.70", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "nimustine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150948", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150948, "molecule_chembl_id": "CHEMBL360648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "600.79", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-OT-39"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151474", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151474, "molecule_chembl_id": "CHEMBL1712596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.40", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ginkgolide A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]21O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957429", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957429, "molecule_chembl_id": "CHEMBL3919973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.84", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPR120-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962519", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTHRACENE-9-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962519, "molecule_chembl_id": "CHEMBL1513985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "9-anthracenecarboxylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c2ccccc2cc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957298, "molecule_chembl_id": "CHEMBL26318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zidovudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961804", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961804, "molecule_chembl_id": "CHEMBL260015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2109761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154534", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154534, "molecule_chembl_id": "CHEMBL2333770", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "6.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.41", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962755", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962755, "molecule_chembl_id": "CHEMBL237645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.72", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-HDAC6-20b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.677", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957898", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957898, "molecule_chembl_id": "CHEMBL51", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962600", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962600, "molecule_chembl_id": "CHEMBL462997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958000", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958000, "molecule_chembl_id": "CHEMBL2397317", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.51", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-00127_HEV1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c(C)nn3c(NCCN4CCOCC4)cc(C)nc23)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958002", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958002, "molecule_chembl_id": "CHEMBL1336452", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.56", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-634724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958003", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958003, "molecule_chembl_id": "CHEMBL1499658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.49", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086036"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-n2c(SCc3cc(=O)oc4cc(O)c(O)cc34)nc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154264", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.92", "bao_label": "organism-based format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154264, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib (AB1010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11900.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154265", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.88", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154265, "molecule_chembl_id": "CHEMBL481512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.63", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MCOPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154266", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.30", "bao_label": "organism-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154266, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956793", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956793, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BRIVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957805", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957805, "molecule_chembl_id": "CHEMBL578995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.37", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFMTI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1cccnc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961987", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961987, "molecule_chembl_id": "CHEMBL294747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR 103691"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150888", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHACYCLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150888, "molecule_chembl_id": "CHEMBL249837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.42", "alogp": "-0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "METHACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149550", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149550, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIVAROXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149556, "molecule_chembl_id": "CHEMBL3823499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149106", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149106, "molecule_chembl_id": "CHEMBL565795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.15", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149359", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOMOUCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149359, "molecule_chembl_id": "CHEMBL280074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "olomoucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956038", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INTEPIRDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956038, "molecule_chembl_id": "CHEMBL1083390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Intepirdine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964386", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.42", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964386, "molecule_chembl_id": "CHEMBL508280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.38", "alogp": "2.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI-78D3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960575", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZM-241385", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960575, "molecule_chembl_id": "CHEMBL113142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-241385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4835", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958454", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958454, "molecule_chembl_id": "CHEMBL463321", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004806"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963056", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963056, "molecule_chembl_id": "CHEMBL14", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.65", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBACHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959442", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959442, "molecule_chembl_id": "CHEMBL1201138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LEUCOVORIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964047", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964047, "molecule_chembl_id": "CHEMBL45827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.52", "alogp": "6.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-161570"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955507", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955507, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clofazimina"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958231", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958231, "molecule_chembl_id": "CHEMBL151284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.21", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086177"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964040", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964040, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pranlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151756", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151756, "molecule_chembl_id": "CHEMBL255787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A740003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149819", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEBRANOPADOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149819, "molecule_chembl_id": "CHEMBL2364605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.49", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CEBRANOPADOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150016", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLPARABEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150016, "molecule_chembl_id": "CHEMBL459008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYL PARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961806", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPYROCETYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961806, "molecule_chembl_id": "CHEMBL1451173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.19", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPYROCETYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961809", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICLAMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961809, "molecule_chembl_id": "CHEMBL42126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.26", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piclamilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147614", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTOLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147614, "molecule_chembl_id": "CHEMBL597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENTOLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147639", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147639, "molecule_chembl_id": "CHEMBL653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.47", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIZATIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C\\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152157, "molecule_chembl_id": "CHEMBL517986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.77", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EIPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147549", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOMIFENSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147549, "molecule_chembl_id": "CHEMBL273575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NOMIFENSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(N)cccc2C(c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962736", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962736, "molecule_chembl_id": "CHEMBL1257128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.53", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lisuride maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962575", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOLSIDOMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962575, "molecule_chembl_id": "CHEMBL1329455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.24", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOLSIDOMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962645", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962645, "molecule_chembl_id": "CHEMBL4303666", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caroverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN1C(=O)C(=Cc2ccc(OC)cc2)Nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962586", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962586, "molecule_chembl_id": "CHEMBL4303623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.23", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZLN-024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.714", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(OCCSc2ncccn2)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962490", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962490, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acitretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962491", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOCERANIB PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962491, "molecule_chembl_id": "CHEMBL2103833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.46", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toceranib (phosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959584", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959584, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964197", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEVIMELINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964197, "molecule_chembl_id": "CHEMBL2218917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.79", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cevimeline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1OC2(CS1)CN1CCC2CC1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957542", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IB-MECA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957542, "molecule_chembl_id": "CHEMBL119709", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.29", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962609", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETEROBARB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962609, "molecule_chembl_id": "CHEMBL327407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eterobarb"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961851", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961851, "molecule_chembl_id": "CHEMBL2381340", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "638.82", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XMD17-109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962662", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOBELINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962662, "molecule_chembl_id": "CHEMBL1257005", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.92", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lobeline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957362", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-911543", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957362, "molecule_chembl_id": "CHEMBL3545215", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-911543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959249", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959249, "molecule_chembl_id": "CHEMBL284716", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.26", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-hydroxy-PIPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(C/C=C/I)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959585", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUCLIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959585, "molecule_chembl_id": "CHEMBL1201271", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.04", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "buclizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958991", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIETHYLPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958991, "molecule_chembl_id": "CHEMBL1693", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.76", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "amfepramone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(C)C(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959176", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959176, "molecule_chembl_id": "CHEMBL1354398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORPHENADRINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963573", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINSITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963573, "molecule_chembl_id": "CHEMBL1091644", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OSI-906 (Linsitinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-67.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963584", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963584, "molecule_chembl_id": "CHEMBL2362410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.06", "alogp": "0.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Landiolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958980", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREGNENOLONE SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958980, "molecule_chembl_id": "CHEMBL2105373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.56", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PREGNENOLONE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964300", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.63", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964300, "molecule_chembl_id": "CHEMBL2354521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.86", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxyfedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2350.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964349", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE ZINC", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964349, "molecule_chembl_id": "CHEMBL3392049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.71", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRITHIONE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958978", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958978, "molecule_chembl_id": "CHEMBL3348958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.30", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bilobalide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.963", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)C231", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962341", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSAMPRENAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962341, "molecule_chembl_id": "CHEMBL1664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "585.62", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "fosamprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963601", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963601, "molecule_chembl_id": "CHEMBL370962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bay 60-7550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nc(O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962349", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPENTOFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962349, "molecule_chembl_id": "CHEMBL1079905", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propentofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962140", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962140, "molecule_chembl_id": "CHEMBL4303361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.26", "alogp": "3.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NT157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963473", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMAVANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963473, "molecule_chembl_id": "CHEMBL2111101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.56", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pimavanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961968", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPSAICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961968, "molecule_chembl_id": "CHEMBL294199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPSAICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961970", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961970, "molecule_chembl_id": "CHEMBL1078974", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.58", "alogp": "1.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EG00229"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957372", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VENETOCLAX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957372, "molecule_chembl_id": "CHEMBL3137309", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "868.46", "alogp": "8.66", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "VENETOCLAX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956775", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956775, "molecule_chembl_id": "CHEMBL1400561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVETIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152921", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAROZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152921, "molecule_chembl_id": "CHEMBL459505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.52", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Talarozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150507", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150507, "molecule_chembl_id": "CHEMBL3187096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.43", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIVASTIGMINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@@H](O)[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148044", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACALABRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148044, "molecule_chembl_id": "CHEMBL3707348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.52", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acalabrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960502", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960502, "molecule_chembl_id": "CHEMBL4303144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.24", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA14-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2[C@H]1[C@H](C#N)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146023", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146023, "molecule_chembl_id": "CHEMBL4303324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.25", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Wy-16922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(=O)Nc1cccc(OC)c1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146025", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOCICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146025, "molecule_chembl_id": "CHEMBL3545110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribociclib (LEE011)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150536", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150536, "molecule_chembl_id": "CHEMBL2322946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rac-BHFF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(O)(C(F)(F)F)C(=O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146190", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146190, "molecule_chembl_id": "CHEMBL2179387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-1(PF-6405761)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961228", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961228, "molecule_chembl_id": "CHEMBL489157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.76", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CKI-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961171", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961171, "molecule_chembl_id": "CHEMBL1256484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.67", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Methyldopamine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960443", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960443, "molecule_chembl_id": "CHEMBL3586573", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.36", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CC-115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.867", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958998", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-203580", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958998, "molecule_chembl_id": "CHEMBL10", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-203580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.655", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959184", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANOCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959184, "molecule_chembl_id": "CHEMBL1555126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.84", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lanoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.294", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAMOTRIGINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963894, "molecule_chembl_id": "CHEMBL741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.10", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMOTRIGINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.522", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959294", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEHYDROCHOLATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959294, "molecule_chembl_id": "CHEMBL2106184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.51", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCHOLATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959202, "molecule_chembl_id": "CHEMBL190677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benzoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccc1)C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959368", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMITIFADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959368, "molecule_chembl_id": "CHEMBL592374", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.12", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "amitifadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959304", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOMETHEPTENE MUCATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959304, "molecule_chembl_id": "CHEMBL2355839", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.65", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isometheptene-mucate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959375", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMEQUINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959375, "molecule_chembl_id": "CHEMBL370252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.25", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMEQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963955, "molecule_chembl_id": "CHEMBL3352946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "105.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-cyanopyrimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ncccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958976", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958976, "molecule_chembl_id": "CHEMBL1447233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.23", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-37157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149166", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOSERELIN ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149166, "molecule_chembl_id": "CHEMBL1200501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1329.48", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Goserelin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151298, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SSZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146214", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTALBITAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146214, "molecule_chembl_id": "CHEMBL454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "butalbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830285", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESLICARBAZEPINE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830285, "molecule_chembl_id": "CHEMBL87992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESLICARBAZEPINE (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833438", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRILANESTRANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833438, "molecule_chembl_id": "CHEMBL3581693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "6.82", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BRILANESTRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829763", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829763, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835263", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROSARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835263, "molecule_chembl_id": "CHEMBL813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.52", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eprosartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154134", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACALCET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154134, "molecule_chembl_id": "CHEMBL1201284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CINACALCET HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154136", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TPCK", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154136, "molecule_chembl_id": "CHEMBL60718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tosyl Phenylalanyl Chloromethyl Ketone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152606", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152606, "molecule_chembl_id": "CHEMBL52609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "thymidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152955, "molecule_chembl_id": "CHEMBL1078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM002548940"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154063", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154063, "molecule_chembl_id": "CHEMBL4303706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.50", "alogp": "4.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK-1562590"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148592", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPELOPSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148592, "molecule_chembl_id": "CHEMBL3348861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.25", "alogp": "0.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Dihydromyricetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148462", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDACLOPRID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148462, "molecule_chembl_id": "CHEMBL406819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.66", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imidacloprid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/N=C1\\NCCN1Cc1ccc(Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148128", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148128, "molecule_chembl_id": "CHEMBL1447233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.23", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-37157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149854", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149854, "molecule_chembl_id": "CHEMBL97162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 239063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148716", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148716, "molecule_chembl_id": "CHEMBL2425825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.27", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-3035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(/C=C2\\SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153145", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUCAPARIB PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153145, "molecule_chembl_id": "CHEMBL2105733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.37", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Rucaparib (AG-014699;PF-01367338) phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149041", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149041, "molecule_chembl_id": "CHEMBL1410748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-methylquipazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3ccccc3n2)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153548", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153548, "molecule_chembl_id": "CHEMBL4303287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154513", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154513, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829475", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINEZOLID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829475, "molecule_chembl_id": "CHEMBL126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.35", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINEZOLID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154225", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.13", "bao_label": "organism-based format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154225, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153774", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LASOFOXIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153774, "molecule_chembl_id": "CHEMBL328190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.56", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lasofoxifene (Tartrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149278", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149278, "molecule_chembl_id": "CHEMBL3311308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.40", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-37647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958875", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958875, "molecule_chembl_id": "CHEMBL511307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.38", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YS-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@H](Cc1cccc3ccccc13)NCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150788", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150788, "molecule_chembl_id": "CHEMBL2312168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LMK-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146427", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04418948", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146427, "molecule_chembl_id": "CHEMBL3286797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04418948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150051", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150051, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Troxipide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961423", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961423, "molecule_chembl_id": "CHEMBL1692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.88", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152638", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLUMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152638, "molecule_chembl_id": "CHEMBL1200570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "-3.36", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152645", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152645, "molecule_chembl_id": "CHEMBL1254024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.56", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OT-R-antagonist-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1/C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149013", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-HYDROXY-6-METHYLPYRAN-2-ONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149013, "molecule_chembl_id": "CHEMBL54907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HYDROXY-6-METHYLPYRAN-2-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829909", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829909, "molecule_chembl_id": "CHEMBL2367465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.12", "alogp": "-1.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALENDRONATE SODIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.O.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154578", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154578, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib (MLN2238)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154584", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154584, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152421", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152421, "molecule_chembl_id": "CHEMBL4303597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Mitiglinide Calcium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152425", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152425, "molecule_chembl_id": "CHEMBL190270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CDPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152426", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152426, "molecule_chembl_id": "CHEMBL211045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.50", "alogp": "5.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Nutlin-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154596", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154596, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153397", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAGLENASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153397, "molecule_chembl_id": "CHEMBL3639788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.59", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Telaglenastat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148895, "molecule_chembl_id": "CHEMBL508094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-1101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](C)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152875", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152875, "molecule_chembl_id": "CHEMBL608154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.81", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MLN120B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149182", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEBANICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149182, "molecule_chembl_id": "CHEMBL430497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.65", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tebanicline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(OC[C@H]2CCN2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148801, "molecule_chembl_id": "CHEMBL496594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.47", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152934", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEBUTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152934, "molecule_chembl_id": "CHEMBL1200813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.89", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACEBUTOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146601", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146601, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "brefeldin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145823", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145823, "molecule_chembl_id": "CHEMBL3754515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.76", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06260933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958581", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOMETASONE FUROATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958581, "molecule_chembl_id": "CHEMBL1161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.44", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MOMETASONE FUROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146315", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146315, "molecule_chembl_id": "CHEMBL1096927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levomenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961017", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961017, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "EBSELEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150340", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150340, "molecule_chembl_id": "CHEMBL3335794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.63", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK-2837808A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(C(=O)O)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153082, "molecule_chembl_id": "CHEMBL571700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.38", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylthiuram monosulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150346", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150346, "molecule_chembl_id": "CHEMBL173793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.51", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefamandole (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(O)c3ccccc3)C2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959845", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959845, "molecule_chembl_id": "CHEMBL1230488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-hydroxyectoine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=N[C@H](C(=O)O)[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959846", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959846, "molecule_chembl_id": "CHEMBL1672354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.38", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-5046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964453", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964453, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959871", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCTENIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959871, "molecule_chembl_id": "CHEMBL36342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "623.84", "alogp": "9.63", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Octenidine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153192, "molecule_chembl_id": "CHEMBL189753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.43", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XCT790"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C(\\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958715", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-CITRULLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958715, "molecule_chembl_id": "CHEMBL444814", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "175.19", "alogp": "-1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Citrulline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150895, "molecule_chembl_id": "CHEMBL4064277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.36", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRPIN340"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153458", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153458, "molecule_chembl_id": "CHEMBL541505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM TETRADECYL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150117", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERATRODAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150117, "molecule_chembl_id": "CHEMBL70972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SERATRODAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145996", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK3207", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145996, "molecule_chembl_id": "CHEMBL1910936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.60", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-3207"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146522", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAGLENASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146522, "molecule_chembl_id": "CHEMBL3639788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.59", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CB-839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145763", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITARINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145763, "molecule_chembl_id": "CHEMBL3693786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.96", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "citarinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150918", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEDOBEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150918, "molecule_chembl_id": "CHEMBL112687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEDOBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150923", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150923, "molecule_chembl_id": "CHEMBL123904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU-1025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(O)cccc2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145774", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTRINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145774, "molecule_chembl_id": "CHEMBL1868702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gestrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146596", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOCRISTINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146596, "molecule_chembl_id": "CHEMBL1255837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "707.85", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "dihydroergocristine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145701", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORSULFURON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145701, "molecule_chembl_id": "CHEMBL1229721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.78", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORSULFURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956428", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956428, "molecule_chembl_id": "CHEMBL483857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-3CT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960153", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960153, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Silodosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957243", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-571", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957243, "molecule_chembl_id": "CHEMBL15177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "verlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959889", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959889, "molecule_chembl_id": "CHEMBL3769507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.56", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BRD9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957817", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILENGITIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957817, "molecule_chembl_id": "CHEMBL429876", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.67", "alogp": "-2.18", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CILENGITIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957825", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04620110", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957825, "molecule_chembl_id": "CHEMBL1835919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04620110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962428", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FANETIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962428, "molecule_chembl_id": "CHEMBL1993793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.40", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fanetizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.512", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N-METHYL-D-ASPARTIC ACID (NMDA)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962513, "molecule_chembl_id": "CHEMBL291278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NMDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.071", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956868", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956868, "molecule_chembl_id": "CHEMBL4303289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMI-4a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2cccc(C(F)(F)F)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956869", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REGADENOSON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956869, "molecule_chembl_id": "CHEMBL317052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.36", "alogp": "-2.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGADENOSON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961622", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIRABRESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961622, "molecule_chembl_id": "CHEMBL3581647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OTX015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.965", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955565", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955565, "molecule_chembl_id": "CHEMBL4553748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlormadinone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961099", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961099, "molecule_chembl_id": "CHEMBL594828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.84", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IX-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960020", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960020, "molecule_chembl_id": "CHEMBL31741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-701324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958588", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958588, "molecule_chembl_id": "CHEMBL215421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.86", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WB-4101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.641", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963849", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963849, "molecule_chembl_id": "CHEMBL90882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-CMDO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.836", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963657", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963657, "molecule_chembl_id": "CHEMBL2408776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.05", "alogp": "6.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KB-SRC-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2cccc(-c3ccccc3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959059", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959059, "molecule_chembl_id": "CHEMBL3922179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-5442"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959252", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959252, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Etifoxine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960164", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFTIBUTEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960164, "molecule_chembl_id": "CHEMBL1605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ceftibuten (dihydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961143", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961143, "molecule_chembl_id": "CHEMBL4303151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT4165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=Cc2cccnc2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961357", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961357, "molecule_chembl_id": "CHEMBL261491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Go 6983"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154551", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154551, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.63", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150175", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150175, "molecule_chembl_id": "CHEMBL285932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.25", "alogp": "5.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM-251"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961261", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADOPRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961261, "molecule_chembl_id": "CHEMBL221692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Adoprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960531", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-694247", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960531, "molecule_chembl_id": "CHEMBL39317", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.49", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-694247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960398", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMPHOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960398, "molecule_chembl_id": "CHEMBL504760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-Camphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960401", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960401, "molecule_chembl_id": "CHEMBL4303293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960823", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANGERETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960823, "molecule_chembl_id": "CHEMBL73930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.37", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tangeretin (Tangeritin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955945", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPIDACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955945, "molecule_chembl_id": "CHEMBL130880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.27", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amiridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3c1CCC3)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959529", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959529, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flurbiprofen-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959538", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959538, "molecule_chembl_id": "CHEMBL1077819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "605.59", "alogp": "6.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NBI-74330-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964146", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOTESANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964146, "molecule_chembl_id": "CHEMBL572881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Motesanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959618", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATROPINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959618, "molecule_chembl_id": "CHEMBL2146146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.45", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ATROPINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964226", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.69", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964226, "molecule_chembl_id": "CHEMBL243652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.20", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD096194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2040.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959545", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959545, "molecule_chembl_id": "CHEMBL3392645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.88", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964150", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINIFANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964150, "molecule_chembl_id": "CHEMBL223360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.41", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Linifanib (ABT-869)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-63.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960091", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHA-680632", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960091, "molecule_chembl_id": "CHEMBL363160", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.64", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHA-680632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956635", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CITARINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956635, "molecule_chembl_id": "CHEMBL3693786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.96", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "citarinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956025", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRTAZAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956025, "molecule_chembl_id": "CHEMBL654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azamianserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3C2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960809", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960809, "molecule_chembl_id": "CHEMBL3985592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "5.18", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CNX-2006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(NC4CN(CCF)C4)cc3OC)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956154", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956154, "molecule_chembl_id": "CHEMBL1236782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.49", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT241533"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960100", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960100, "molecule_chembl_id": "CHEMBL4212818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.83", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DS2-(806622)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960107", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATAZANAVIR SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960107, "molecule_chembl_id": "CHEMBL1200678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "802.95", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Atazanavir sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955973", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIFENDATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955973, "molecule_chembl_id": "CHEMBL105184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Bifendate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960754", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSAPREPITANT DIMEGLUMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960754, "molecule_chembl_id": "CHEMBL1201782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1004.84", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fosaprepitant dimeglumine salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955982", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXRAZOXANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955982, "molecule_chembl_id": "CHEMBL1738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexrazoxane hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960526", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960526, "molecule_chembl_id": "CHEMBL1314022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.36", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1ccccc1)c1cc(NC)[n+](C)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955878", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955878, "molecule_chembl_id": "CHEMBL4303255", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pikamilone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCNC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961161", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961161, "molecule_chembl_id": "CHEMBL3084652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.50", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JHW-007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.517", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963706", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963706, "molecule_chembl_id": "CHEMBL343822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.44", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMP-543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963243", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963243, "molecule_chembl_id": "CHEMBL1478530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.36", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "procaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955822", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955822, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI 2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960600", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960600, "molecule_chembl_id": "CHEMBL4303253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.00", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-887826"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(-c2cncc(C(=O)NCc3cccnc3N3CCOCC3)c2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956894, "molecule_chembl_id": "CHEMBL1852596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.35", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1ccccc1)c1c/c(=N/C)n(C)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964515", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964515, "molecule_chembl_id": "CHEMBL119171", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958404", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DISOPYRAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958404, "molecule_chembl_id": "CHEMBL517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISOPYRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959916", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOCICEPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959916, "molecule_chembl_id": "CHEMBL396460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1809.07", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "orphanin-fq; NOCICEPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.714", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957603", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957603, "molecule_chembl_id": "CHEMBL3356143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964429", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964429, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rosmarinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147028", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147028, "molecule_chembl_id": "CHEMBL275655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "117.15", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-methyl-GABA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147030", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRASEMTIV", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147030, "molecule_chembl_id": "CHEMBL3039529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.27", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tirasemtiv"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc2nc(O)n(C(CC)CC)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151543", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARIMASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151543, "molecule_chembl_id": "CHEMBL279785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.41", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Marimastat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963949", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETILISTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963949, "molecule_chembl_id": "CHEMBL2103825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.59", "alogp": "7.36", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "cetilistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.703", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959783", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENIPOSIDIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959783, "molecule_chembl_id": "CHEMBL460031", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.34", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Geniposidic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959791", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOROMETHOLONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959791, "molecule_chembl_id": "CHEMBL1201064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.51", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluorometholone Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964398", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964398, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "hemin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964400", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964400, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lansoprazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959794", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959794, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Celecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.985", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959795", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959795, "molecule_chembl_id": "CHEMBL598270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.18", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "clofilium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960879", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960879, "molecule_chembl_id": "CHEMBL193093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IKK-2-inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.401", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1sc(-c2ccsc2)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960882", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960882, "molecule_chembl_id": "CHEMBL604677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H2L-5765834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DINOPROSTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960886, "molecule_chembl_id": "CHEMBL548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dinoprostone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964412", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964412, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961875", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961875, "molecule_chembl_id": "CHEMBL1523019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "madrasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(Nc3nc(C)c(C)c(O)n3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961889", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961889, "molecule_chembl_id": "CHEMBL1413406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMPH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961894, "molecule_chembl_id": "CHEMBL4303619", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.48", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "c-Kit-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cc(Oc3cc(F)c(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960131", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BESIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960131, "molecule_chembl_id": "CHEMBL1201761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Besifloxacin HCl (Besivance)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955642", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATALUREN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955642, "molecule_chembl_id": "CHEMBL256997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.25", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ataluren\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960962", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAPACHONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960962, "molecule_chembl_id": "CHEMBL15192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "alphaLapachone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964402", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964402, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964403", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964403, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964051", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964051, "molecule_chembl_id": "CHEMBL2359165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.03", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benidipine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8833", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959239", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959239, "molecule_chembl_id": "CHEMBL1341792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.44", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-16020046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2[nH]nc3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959309", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959309, "molecule_chembl_id": "CHEMBL113180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1onc(O)c1CC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964119", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIDANOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964119, "molecule_chembl_id": "CHEMBL1460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Didanosine (Videx)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.047", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959519", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALCURONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959519, "molecule_chembl_id": "CHEMBL3188339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "737.82", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "alcuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\\CO)C2)[C@H]54)[C@@H]69.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959523", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXTIOPRONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959523, "molecule_chembl_id": "CHEMBL2106444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOPRONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](S)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964141", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XENALIPIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964141, "molecule_chembl_id": "CHEMBL2104509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.22", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "xenalipin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955834", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955834, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ramelteon\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964291", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.14", "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964291, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "720.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960985", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMETHOXAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960985, "molecule_chembl_id": "CHEMBL443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.28", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960991", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILOSTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960991, "molecule_chembl_id": "CHEMBL34431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cilostamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960998", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESMINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960998, "molecule_chembl_id": "CHEMBL4296717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Resminostat (RAS2410)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.059", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956606", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-960", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956606, "molecule_chembl_id": "CHEMBL2392545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.61", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961388", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961388, "molecule_chembl_id": "CHEMBL1522791", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.20", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sanazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNC(=O)Cn1cnc([N+](=O)[O-])n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961464", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELUXADOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961464, "molecule_chembl_id": "CHEMBL2159122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Eluxadoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961471", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LYNESTRENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961471, "molecule_chembl_id": "CHEMBL2107431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "lynestrenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961005", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LORACARBEF", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961005, "molecule_chembl_id": "CHEMBL1013", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.77", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "loracarbef"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956233", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956233, "molecule_chembl_id": "CHEMBL2440854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.31", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S107"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CCS2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961008", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961008, "molecule_chembl_id": "CHEMBL1788312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.49", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7114"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956234", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DSM-265", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956234, "molecule_chembl_id": "CHEMBL1956285", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.34", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DSM265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961185", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOCABASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961185, "molecule_chembl_id": "CHEMBL1237102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.99", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levocabastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956496", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMETHASONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956496, "molecule_chembl_id": "CHEMBL1201392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956594", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956594, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961371", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961371, "molecule_chembl_id": "CHEMBL4303500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-847325"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(CN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956538", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956538, "molecule_chembl_id": "CHEMBL2385591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-212854"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961318", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961318, "molecule_chembl_id": "CHEMBL4303416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dolutegravir (GSK1349572)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830170", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830170, "molecule_chembl_id": "CHEMBL3085150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.86", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834902", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834902, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831051", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831051, "molecule_chembl_id": "CHEMBL2146124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFUROXIME SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956200", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPROTIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956200, "molecule_chembl_id": "CHEMBL214381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.45", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPROTIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960983", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEOCALCITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960983, "molecule_chembl_id": "CHEMBL1908376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.70", "alogp": "6.43", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Seocalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956608", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956608, "molecule_chembl_id": "CHEMBL1398529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-0166285", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829932, "molecule_chembl_id": "CHEMBL3545196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.36", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "PD-166285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "74.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964485", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964485, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153525", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRANSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153525, "molecule_chembl_id": "CHEMBL4297188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ARQ-092"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959882", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTHRALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959882, "molecule_chembl_id": "CHEMBL46469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTHRALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2Cc2cccc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961059", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHYLCURCUMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961059, "molecule_chembl_id": "CHEMBL128748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.44", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dimethylcurcumin; ASC-J9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956324", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956324, "molecule_chembl_id": "CHEMBL282748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.65", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GGTI298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957327", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CITALOPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957327, "molecule_chembl_id": "CHEMBL549", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESCITALOPRAM OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961937", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961937, "molecule_chembl_id": "CHEMBL2312168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LMK-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957351", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957351, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "dutasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963859", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963859, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIBOFLAVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.693", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964369", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964369, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Myricetin (Cannabiscetin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959042", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALGESTONE ACETOPHENIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959042, "molecule_chembl_id": "CHEMBL2105993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.60", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "algestone-acetophenide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]12OC(C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959046", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BLEOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959046, "molecule_chembl_id": "CHEMBL3085504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1513.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bleomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962004", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEGLITINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962004, "molecule_chembl_id": "CHEMBL149930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.77", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "meglitinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957407", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SGI-1776", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957407, "molecule_chembl_id": "CHEMBL1952329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGI-1776"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956710", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILOMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956710, "molecule_chembl_id": "CHEMBL511115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cilomilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147602", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147602, "molecule_chembl_id": "CHEMBL702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.56", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIPERACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151887", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151887, "molecule_chembl_id": "CHEMBL4303257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.46", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-{[2-(Hydroxymethyl)-2-phenylbutanoyl]oxy}-8;8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CO)(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962215", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELAGOLIX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962215, "molecule_chembl_id": "CHEMBL1208155", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "631.60", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Elagolix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962220", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYTOIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962220, "molecule_chembl_id": "CHEMBL1611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYTOIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152375", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152375, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valdecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147871", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOLEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147871, "molecule_chembl_id": "CHEMBL1908361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcium levofolinate (Calcium Folinate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152382", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW7647", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152382, "molecule_chembl_id": "CHEMBL21241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.77", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW 7647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959063", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIOCHOLANOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959063, "molecule_chembl_id": "CHEMBL85799", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-alpha-Hydroxy-5-beta-androstan-17-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151560", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151560, "molecule_chembl_id": "CHEMBL26019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.24", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "homoveratrylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963637", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963637, "molecule_chembl_id": "CHEMBL1978713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.44", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-152100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958658", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASCORBIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958658, "molecule_chembl_id": "CHEMBL196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ASCORBIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147775", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETILISTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147775, "molecule_chembl_id": "CHEMBL2103825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.59", "alogp": "7.36", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "cetilistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147296", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147296, "molecule_chembl_id": "CHEMBL3094448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.33", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7004"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc2cc(C(=O)Nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146861", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAUROLIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146861, "molecule_chembl_id": "CHEMBL2105420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "-2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "taurolidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959259", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959259, "molecule_chembl_id": "CHEMBL280974", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eliprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963678", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963678, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151540", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151540, "molecule_chembl_id": "CHEMBL3039094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRASTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC(=O)[C@@]4(C)CCC32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957502", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PI-103", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957502, "molecule_chembl_id": "CHEMBL573339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI-103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147040", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICLAMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147040, "molecule_chembl_id": "CHEMBL42126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.26", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piclamilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151742", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151742, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OMEPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151745", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151745, "molecule_chembl_id": "CHEMBL482409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.36", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD083064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957516", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERFENADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957516, "molecule_chembl_id": "CHEMBL17157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.69", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PD070165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150554", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150554, "molecule_chembl_id": "CHEMBL4528156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.42", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAXAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147226", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147226, "molecule_chembl_id": "CHEMBL483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.22", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tenofovir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151360", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151360, "molecule_chembl_id": "CHEMBL4303289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMI-4a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2cccc(C(F)(F)F)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151315", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151315, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumiracoxib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962404", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962404, "molecule_chembl_id": "CHEMBL573", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARGLUMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962405, "molecule_chembl_id": "CHEMBL1201780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARGLUMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.602", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961986", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961986, "molecule_chembl_id": "CHEMBL25195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.28", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-27531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(-c2ccccc2)nnc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150574", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETIPIPRANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150574, "molecule_chembl_id": "CHEMBL2386081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.43", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Setipiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147426", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORTERONEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147426, "molecule_chembl_id": "CHEMBL1921976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ORTERONEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959901", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959901, "molecule_chembl_id": "CHEMBL1204354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "0.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-1004_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NCCNS(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147957", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147957, "molecule_chembl_id": "CHEMBL3989562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.93", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "terazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151627", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151627, "molecule_chembl_id": "CHEMBL1982368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.77", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JIB04 (NSC693627)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(N/N=C(\\c2ccccc2)c2ccccn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147230", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILASTATIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147230, "molecule_chembl_id": "CHEMBL1201057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.44", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilastatin Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147129", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147129, "molecule_chembl_id": "CHEMBL542620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.70", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABAPENTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151356", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151356, "molecule_chembl_id": "CHEMBL45245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6(5H)-Phenanthridinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146859", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146859, "molecule_chembl_id": "CHEMBL4303256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "alclometasone-dipropionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2C3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147963", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEROSPIRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147963, "molecule_chembl_id": "CHEMBL1472975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Perospirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152137", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152137, "molecule_chembl_id": "CHEMBL4060033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.27", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHP099 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958345", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958345, "molecule_chembl_id": "CHEMBL2013195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119709"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963493", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLUTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963493, "molecule_chembl_id": "CHEMBL930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Glutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147669", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CENTROPHENOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147669, "molecule_chembl_id": "CHEMBL1256131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.18", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECLOFENOXATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151221", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151221, "molecule_chembl_id": "CHEMBL65567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.12", "alogp": "-1.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Creatinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N=C1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959034", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959034, "molecule_chembl_id": "CHEMBL1436478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclopenthiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CC1CCCC1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146999", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRONIAZID PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146999, "molecule_chembl_id": "CHEMBL1256361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPRONIAZID PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147781", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147781, "molecule_chembl_id": "CHEMBL51697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nomifensine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959997", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959997, "molecule_chembl_id": "CHEMBL284782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-37344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152387", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEROTONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152387, "molecule_chembl_id": "CHEMBL39", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.22", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEROTONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147884", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCLOFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147884, "molecule_chembl_id": "CHEMBL94081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.66", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "alclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccc(CC(=O)O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147887", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147887, "molecule_chembl_id": "CHEMBL1230584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.91", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EC-144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962806", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962806, "molecule_chembl_id": "CHEMBL1187085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.15", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trigonelline_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958572", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OTENZEPAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958572, "molecule_chembl_id": "CHEMBL17045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "otenzepad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148255", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148255, "molecule_chembl_id": "CHEMBL1256919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.40", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDRASTINE (1R; 9S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151140", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151140, "molecule_chembl_id": "CHEMBL75474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.56", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Galeterone (TOK-001)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1cnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151295", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINOLFOSFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151295, "molecule_chembl_id": "CHEMBL2104114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.13", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOP(=O)(O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146659", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPECITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146659, "molecule_chembl_id": "CHEMBL1773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPECITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147112", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147112, "molecule_chembl_id": "CHEMBL1443376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.48", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nafadotride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146735", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146735, "molecule_chembl_id": "CHEMBL30024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.87", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICI-192605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC/C=C\\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957390", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957390, "molecule_chembl_id": "CHEMBL1229592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.98", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147372", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147372, "molecule_chembl_id": "CHEMBL3414574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EI1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154454", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154454, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146575", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146575, "molecule_chembl_id": "CHEMBL3782004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.17", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TH588"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829011", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829011, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Omeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831723", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXLOXIGLUMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831723, "molecule_chembl_id": "CHEMBL550781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DEXLOXIGLUMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831315", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831315, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYCHLOROQUINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830510", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830510, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829642", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829642, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUNARIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833636", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833636, "molecule_chembl_id": "CHEMBL2442630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.20", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "P7C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835261", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPERISONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835261, "molecule_chembl_id": "CHEMBL1902981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.39", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "eperisone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829944", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829944, "molecule_chembl_id": "CHEMBL1698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUPROPION"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828956", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENESTROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828956, "molecule_chembl_id": "CHEMBL1018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dienestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1001", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828763", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828763, "molecule_chembl_id": "CHEMBL4303342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxymetholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C/C(=C\\O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151086", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151086, "molecule_chembl_id": "CHEMBL140000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147442", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147442, "molecule_chembl_id": "CHEMBL4303575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-exo-camphanediol-2;3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146526", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146526, "molecule_chembl_id": "CHEMBL4539258", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DADLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150908", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAZMEGREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150908, "molecule_chembl_id": "CHEMBL283656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAZMEGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148096", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148096, "molecule_chembl_id": "CHEMBL4303147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methylhydantoin-5-(L)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830996", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830996, "molecule_chembl_id": "CHEMBL217354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.71", "alogp": "6.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TW-37"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963318", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICIRIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963318, "molecule_chembl_id": "CHEMBL331237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.31", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "triciribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835906", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFENPIRAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835906, "molecule_chembl_id": "CHEMBL1489662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "difenpiramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2732", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829953", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOSSYPOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829953, "molecule_chembl_id": "CHEMBL51483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.56", "alogp": "6.38", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "GOSSYPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833776", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRUCEANTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833776, "molecule_chembl_id": "CHEMBL509895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.59", "alogp": "1.15", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BRUCEANTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\\C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834866", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834866, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834563", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADH-1", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834563, "molecule_chembl_id": "CHEMBL3818130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "-2.05", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ADH-1 TRIFLUOROACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830147", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830147, "molecule_chembl_id": "CHEMBL1201061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVALBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835021", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIZOFENONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835021, "molecule_chembl_id": "CHEMBL2106822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.88", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nizofenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2727", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830728", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E968", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830728, "molecule_chembl_id": "CHEMBL349605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "-2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ERYTHRITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830333", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830333, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834637", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834637, "molecule_chembl_id": "CHEMBL4303164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.39", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXA-06"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1CNCc1ccc(-c2ccnc3[nH]ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829367", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829367, "molecule_chembl_id": "CHEMBL16073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENACETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829779", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUTEZOLID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829779, "molecule_chembl_id": "CHEMBL288149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SUTEZOLID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831037", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831037, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Fu"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834422", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP-339818", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834422, "molecule_chembl_id": "CHEMBL281622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.44", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-339818"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/N=c1\\ccn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829729", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOVOBIOCIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829729, "molecule_chembl_id": "CHEMBL3183453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "634.61", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NOVOBIOCIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835922", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAZOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835922, "molecule_chembl_id": "CHEMBL707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.48", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "doxazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04875", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835652", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNISOLIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835652, "molecule_chembl_id": "CHEMBL1512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flunisolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830668", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASULDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830668, "molecule_chembl_id": "CHEMBL358392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.27", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(SCc2cccnc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834480", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834480, "molecule_chembl_id": "CHEMBL4303605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "7.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SOLVENT RED 24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834869", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834869, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXICONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830302", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APTIGANEL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830302, "molecule_chembl_id": "CHEMBL554054", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CERESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830303", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830303, "molecule_chembl_id": "CHEMBL90568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIOSMETIN (LUTEOLIN 4-METHYL ETHER)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154516", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ADOMEGLIVANT", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154516, "molecule_chembl_id": "CHEMBL3707351", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "555.64", "alogp": "7.94", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ADOMEGLIVANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.13", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150017", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150017, "molecule_chembl_id": "CHEMBL263664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.85", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT128930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151875", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151875, "molecule_chembl_id": "CHEMBL1976486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.33", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC319726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=S)N1CCC1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838856", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "U-SHAPED RESPONSE TEST AT LOWER CONC.", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838856, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.941", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838662", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE MAY MAKE WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838662, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1Rcat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8709635.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835943", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTRECTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835943, "molecule_chembl_id": "CHEMBL1983268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.65", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Entrectinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831073", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831073, "molecule_chembl_id": "CHEMBL389621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153044", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153044, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152544", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152544, "molecule_chembl_id": "CHEMBL3355096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.88", "alogp": "4.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "20-O-beta-D-Glucopyranosyl-20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148422", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETOCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148422, "molecule_chembl_id": "CHEMBL3301668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "988.18", "alogp": "-2.50", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Carbetocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148726", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADOTERIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148726, "molecule_chembl_id": "CHEMBL1200593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.69", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "GADOTERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151847", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIPASUDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151847, "molecule_chembl_id": "CHEMBL3426621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.39", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ripasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153629", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153629, "molecule_chembl_id": "CHEMBL290904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.34", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ryuvidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149239", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRODAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149239, "molecule_chembl_id": "CHEMBL298019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirodavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148791", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148791, "molecule_chembl_id": "CHEMBL442329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.16", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Luminol sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c(=O)[nH][nH]c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148792", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURANTOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148792, "molecule_chembl_id": "CHEMBL572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.16", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITROFURANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149058", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149058, "molecule_chembl_id": "CHEMBL1234268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149180", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL PALMITATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149180, "molecule_chembl_id": "CHEMBL1506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.55", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORAMPHENICOL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956453", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956453, "molecule_chembl_id": "CHEMBL1422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.32", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152401", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MLN-8054", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152401, "molecule_chembl_id": "CHEMBL259084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MLN8054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152364", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152364, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148067", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148067, "molecule_chembl_id": "CHEMBL140784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.11", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetrazol-5-yl-glycine-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152378", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABAFUNGIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152378, "molecule_chembl_id": "CHEMBL3989547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.50", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Abafungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146097", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146097, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPURINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150491", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENELZINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150491, "molecule_chembl_id": "CHEMBL1200895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENELZINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150492", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMPHENICOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150492, "molecule_chembl_id": "CHEMBL1236282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.23", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "THIAMPHENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150404", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMONOMETHOXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150404, "molecule_chembl_id": "CHEMBL462990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAMONOMETHOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150497", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXALOACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150497, "molecule_chembl_id": "CHEMBL1794791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.07", "alogp": "-0.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "oxaloacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148743", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148743, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Exalamide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153323", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153323, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153508", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153508, "molecule_chembl_id": "CHEMBL434063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-1929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148755", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INIPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148755, "molecule_chembl_id": "CHEMBL1170047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.03", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iniparib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(I)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149958", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMMEPIP", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149958, "molecule_chembl_id": "CHEMBL18661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMMEPIP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc(CC2CCNCC2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149959", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149959, "molecule_chembl_id": "CHEMBL483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.22", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TENOFOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151422", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151422, "molecule_chembl_id": "CHEMBL3108827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1015.31", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AZD5582"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151424", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIOTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151424, "molecule_chembl_id": "CHEMBL857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.32", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BIOTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146922", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPROCAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146922, "molecule_chembl_id": "CHEMBL1179047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.76", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroprocaine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146925", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMECAMTIV MECARBIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146925, "molecule_chembl_id": "CHEMBL1800955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omecamtiv mecarbil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146927", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146927, "molecule_chembl_id": "CHEMBL1603534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAMBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151445, "molecule_chembl_id": "CHEMBL4303701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.71", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS-72664"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151456", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151456, "molecule_chembl_id": "CHEMBL1570294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLICLAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153831", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153831, "molecule_chembl_id": "CHEMBL4303451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.74", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphorylcholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147271", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147271, "molecule_chembl_id": "CHEMBL336161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.39", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A61603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151071", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151071, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STAVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151082, "molecule_chembl_id": "CHEMBL4303680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Obeticholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1C(O)C2C3CCC(C(C)CCC(=O)O)C3(C)CCC2C2(C)CCC(O)CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151718", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALEIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151718, "molecule_chembl_id": "CHEMBL539648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.07", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MALEIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151085", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINEPAZET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151085, "molecule_chembl_id": "CHEMBL2110784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.45", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinepazet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CN1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147281", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARMODAFINIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147281, "molecule_chembl_id": "CHEMBL1201192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARMODAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146786", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIMAPROST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146786, "molecule_chembl_id": "CHEMBL2107456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Limaprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151294", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOSUXIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151294, "molecule_chembl_id": "CHEMBL696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.17", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOSUXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151299", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-715", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151299, "molecule_chembl_id": "CHEMBL363648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.52", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TAK-715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150722", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANEXAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150722, "molecule_chembl_id": "CHEMBL877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.21", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRANEXAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154462", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154462, "molecule_chembl_id": "CHEMBL4303151", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT4165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C1C(=Cc2cccnc2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154465", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154465, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151104", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151104, "molecule_chembl_id": "CHEMBL3785909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.47", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-337"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148873", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PI-103", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148873, "molecule_chembl_id": "CHEMBL573339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI-103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148878", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOGREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148878, "molecule_chembl_id": "CHEMBL1771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.83", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clopidogrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147099", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147099, "molecule_chembl_id": "CHEMBL19299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LOXOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151608", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-911543", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151608, "molecule_chembl_id": "CHEMBL3545215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-911543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154119", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154119, "molecule_chembl_id": "CHEMBL1446457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-05-2090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149623", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALRESTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149623, "molecule_chembl_id": "CHEMBL63055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALRESTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154114", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACOMITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154114, "molecule_chembl_id": "CHEMBL2110732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DACOMITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154120", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154120, "molecule_chembl_id": "CHEMBL1439384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.73", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRi-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151722", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151722, "molecule_chembl_id": "CHEMBL1200596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.05", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154106", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENTIAN VIOLET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154106, "molecule_chembl_id": "CHEMBL64894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.99", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GENTIAN VIOLET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148882", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148882, "molecule_chembl_id": "CHEMBL1091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146910", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N6022", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146910, "molecule_chembl_id": "CHEMBL1738699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "N6022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836265", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836265, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Grazoprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834349", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834349, "molecule_chembl_id": "CHEMBL4303292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.49", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APY0201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829649", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829649, "molecule_chembl_id": "CHEMBL30024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.87", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICI-192605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC/C=C\\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829330", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REBOXETINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829330, "molecule_chembl_id": "CHEMBL2146087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.50", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REBOXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829911, "molecule_chembl_id": "CHEMBL1385206", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.88", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RUFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834692", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.55 \u00b1 0.63", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.81", "bao_label": "organism-based format", "molecule_pref_name": "SORAFENIB TOSYLATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834692, "molecule_chembl_id": "CHEMBL1200485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.04", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1550.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829196", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIORIDAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829196, "molecule_chembl_id": "CHEMBL1200916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.05", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "THIORIDAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831810", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITIFADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831810, "molecule_chembl_id": "CHEMBL592374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.12", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMITIFADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830989", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830989, "molecule_chembl_id": "CHEMBL425618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MARAVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834176", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTUGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834176, "molecule_chembl_id": "CHEMBL1770248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.89", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERTUGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829066", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-194603", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829066, "molecule_chembl_id": "CHEMBL269366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-19-4605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834410", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834410, "molecule_chembl_id": "CHEMBL4303218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NEOHESPERIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834921", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPELISIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834921, "molecule_chembl_id": "CHEMBL2396661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BYL719"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834394", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834394, "molecule_chembl_id": "CHEMBL3086524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.22", "alogp": "-2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5,6-DIHYDRO-5-AZA-2'-DEOXYCYTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834878", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834878, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151462", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONOBENZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151462, "molecule_chembl_id": "CHEMBL1388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MONOBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146961", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUROTHIOGLUCOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146961, "molecule_chembl_id": "CHEMBL2354773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "aurothioglucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146963", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146963, "molecule_chembl_id": "CHEMBL3251047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-225385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146235", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXRAZOXANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146235, "molecule_chembl_id": "CHEMBL1738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexrazoxane hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150481", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150481, "molecule_chembl_id": "CHEMBL242739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119301"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146381", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUXIBUZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146381, "molecule_chembl_id": "CHEMBL1414320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suxibuzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146553", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-1487", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146553, "molecule_chembl_id": "CHEMBL1230122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.37", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R-1487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147863", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOCODAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147863, "molecule_chembl_id": "CHEMBL9514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.33", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOCODAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154636", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154636, "molecule_chembl_id": "CHEMBL261641", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "568.10", "alogp": "3.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SU11274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148079", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORACARBEF", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148079, "molecule_chembl_id": "CHEMBL1013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.77", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "loracarbef"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963499", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUBERMATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963499, "molecule_chembl_id": "CHEMBL2022968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.07", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Dubermatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962953", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962953, "molecule_chembl_id": "CHEMBL202721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-447439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146525", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146525, "molecule_chembl_id": "CHEMBL3963349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.67", "alogp": "0.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Z-DEVD-FMK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151446", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CTS-1027", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151446, "molecule_chembl_id": "CHEMBL440498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.89", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CTS-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146947", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCLADESINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146947, "molecule_chembl_id": "CHEMBL485980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.39", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bucladesine sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150605", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150605, "molecule_chembl_id": "CHEMBL514201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.01", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "talmapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151101", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151101, "molecule_chembl_id": "CHEMBL1271047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93426"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147425", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147425, "molecule_chembl_id": "CHEMBL4303263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Chlorophyllin (sodium copper salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152241", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVAGACESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152241, "molecule_chembl_id": "CHEMBL1090771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.89", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVAGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151815", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIPEXOLE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151815, "molecule_chembl_id": "CHEMBL3182733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.27", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pramipexole dihydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151753", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARESPLADIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151753, "molecule_chembl_id": "CHEMBL148674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.40", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Varespladib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154318", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.96", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154318, "molecule_chembl_id": "CHEMBL261641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.10", "alogp": "3.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SU11274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151761", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARFILZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151761, "molecule_chembl_id": "CHEMBL451887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "719.92", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CARFILZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152231", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152231, "molecule_chembl_id": "CHEMBL64404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.30", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Methoxyphenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145982", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145982, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Zanamivir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150729", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXCHLORPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150729, "molecule_chembl_id": "CHEMBL1200927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXCHLORPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958705", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBAZOCHROME SODIUM SULFONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958705, "molecule_chembl_id": "CHEMBL2104065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.28", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbazochrome sodium sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2=CC(=O)/C(=N\\NC(N)=O)C=C2CC1S(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150659", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150659, "molecule_chembl_id": "CHEMBL1229535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146159", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VESATOLIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146159, "molecule_chembl_id": "CHEMBL2424780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.52", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vesatolimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150662", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150662, "molecule_chembl_id": "CHEMBL4303596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.41", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cc2nc1-c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150858", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150858, "molecule_chembl_id": "CHEMBL494480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADL5859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150456", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150456, "molecule_chembl_id": "CHEMBL286136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.80", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-10302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150675", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOBUFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150675, "molecule_chembl_id": "CHEMBL1765292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.34", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Indobufen\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146365", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146365, "molecule_chembl_id": "CHEMBL4303143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.47", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lubiprostone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146179", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAGEDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146179, "molecule_chembl_id": "CHEMBL1256292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.55", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMAGEDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150470", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150470, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Enrofloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150874", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150874, "molecule_chembl_id": "CHEMBL1201171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAMOXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145971", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145971, "molecule_chembl_id": "CHEMBL1886303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.35", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID2772126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151631", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LITRONESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151631, "molecule_chembl_id": "CHEMBL2105661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.71", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Litronesib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146866", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146866, "molecule_chembl_id": "CHEMBL3797437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120911"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148927", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148927, "molecule_chembl_id": "CHEMBL139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.15", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153822", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153822, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148948", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPIVASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148948, "molecule_chembl_id": "CHEMBL2325741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.92", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZD5363"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957957", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZYLIMIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957957, "molecule_chembl_id": "CHEMBL14192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.20", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Benzylimidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148258", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148258, "molecule_chembl_id": "CHEMBL75773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.35", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147144", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TG100-115", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147144, "molecule_chembl_id": "CHEMBL230011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.35", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TG100-115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147734", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-705498", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147734, "molecule_chembl_id": "CHEMBL207433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.24", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SB705498"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147993", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OROTIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147993, "molecule_chembl_id": "CHEMBL1235017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OROTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147562", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147562, "molecule_chembl_id": "CHEMBL1725120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MLS0315771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153012", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLITHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153012, "molecule_chembl_id": "CHEMBL1232510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "845.02", "alogp": "4.60", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Solithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153014", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153014, "molecule_chembl_id": "CHEMBL2172225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.34", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-603131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962765", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962765, "molecule_chembl_id": "CHEMBL3883592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "669.82", "alogp": "3.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MM-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XILOBAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955932, "molecule_chembl_id": "CHEMBL382769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xilobam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)/N=C1\\CCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956458", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMERAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956458, "molecule_chembl_id": "CHEMBL438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.31", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146891", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146891, "molecule_chembl_id": "CHEMBL2178953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964227", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.38", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964227, "molecule_chembl_id": "CHEMBL259018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.32", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963430", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NYSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963430, "molecule_chembl_id": "CHEMBL450895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "926.11", "alogp": "0.94", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Nystatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964214", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.85", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964214, "molecule_chembl_id": "CHEMBL284861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.27", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TDZD-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1sc(=O)n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963563", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRASTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963563, "molecule_chembl_id": "CHEMBL90593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRASTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.528", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958085", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958085, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "SIROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151005", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RELCOVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151005, "molecule_chembl_id": "CHEMBL419667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "620.51", "alogp": "3.30", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "relcovaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152670", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATROPINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152670, "molecule_chembl_id": "CHEMBL2146146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.45", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ATROPINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152827", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152827, "molecule_chembl_id": "CHEMBL1369924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.37", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-335445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148748", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148748, "molecule_chembl_id": "CHEMBL4303220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Difluprednate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149174", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACENOCOUMAROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149174, "molecule_chembl_id": "CHEMBL397420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.33", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acenocoumarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148799", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148799, "molecule_chembl_id": "CHEMBL1317124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.87", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-102895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958478", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARAZOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958478, "molecule_chembl_id": "CHEMBL324665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARAZOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958301", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFASUCCINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958301, "molecule_chembl_id": "CHEMBL2107036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.28", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFASUCCINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149357", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149357, "molecule_chembl_id": "CHEMBL1356199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "671.05", "alogp": "6.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-583340"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148276", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148276, "molecule_chembl_id": "CHEMBL541543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.99", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-37883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(/N=C(\\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958795", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LERCANIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958795, "molecule_chembl_id": "CHEMBL250270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "611.74", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "lercanidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958799", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958799, "molecule_chembl_id": "CHEMBL1611192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.61", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1cc(O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958722", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROGLITAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958722, "molecule_chembl_id": "CHEMBL408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.55", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Troglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963331", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963331, "molecule_chembl_id": "CHEMBL145725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.86", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-16566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958926", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(S)-FELODIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958926, "molecule_chembl_id": "CHEMBL428768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FELODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.125", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RO-194603", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963334, "molecule_chembl_id": "CHEMBL269366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-19-4605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963335", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALOPERIDOL DECANOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963335, "molecule_chembl_id": "CHEMBL1200986", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.12", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "haloperidol-decanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.491", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963337", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963337, "molecule_chembl_id": "CHEMBL1449651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.30", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-dithiocarbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N.S=C(S)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963347", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963347, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gestodene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958950", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSINOPRILAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958950, "molecule_chembl_id": "CHEMBL581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.50", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fosinoprilat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955669", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARGLUMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955669, "molecule_chembl_id": "CHEMBL1201780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carglumic_acid\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958254", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958254, "molecule_chembl_id": "CHEMBL1339229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.59", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc(O)c2c(n1)c(C(C)(C)C)nn2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963857", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERINDOPRIL ERBUMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963857, "molecule_chembl_id": "CHEMBL1200343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.61", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERINDOPRIL ERBUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963159", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GARENOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963159, "molecule_chembl_id": "CHEMBL3183451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.54", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Garenoxacin (Mesylate hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960810", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFPROZIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960810, "molecule_chembl_id": "CHEMBL276568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFPROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955936", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASULDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955936, "molecule_chembl_id": "CHEMBL358392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.27", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tasuldine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(SCc2cccnc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964021", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIBROSPIDIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964021, "molecule_chembl_id": "CHEMBL2106677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "567.19", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;12-Bis(3-bromopropanoyl)-3;12-diaza-6;9-diazoniadispiro[5.2.5.2]hexadecane dichloride dichloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCBr)N1CC[N+]2(CC1)CC[N+]1(CCN(C(=O)CCBr)CC1)CC2.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956337", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956337, "molecule_chembl_id": "CHEMBL10557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.37", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erianin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963609", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COUMARIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963609, "molecule_chembl_id": "CHEMBL66879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "p-Coumaric acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959010", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOSAPRIDE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959010, "molecule_chembl_id": "CHEMBL1733174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "614.02", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mosapride citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955755", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955755, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinnarizine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955689", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955689, "molecule_chembl_id": "CHEMBL1400561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etiracetam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963118", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963118, "molecule_chembl_id": "CHEMBL282093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.80", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960538", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960538, "molecule_chembl_id": "CHEMBL301717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ST-91"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963122", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963122, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENROFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960272", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTAMIDINE ISETHIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960272, "molecule_chembl_id": "CHEMBL361506", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "592.69", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTAMIDINE ISETHIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958525", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958525, "molecule_chembl_id": "CHEMBL3928332", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.44", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BC 11-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963128", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEBICAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963128, "molecule_chembl_id": "CHEMBL3707390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mebicar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(C)C2C1N(C)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958529", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958529, "molecule_chembl_id": "CHEMBL1312730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-273567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955770", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZACITIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955770, "molecule_chembl_id": "CHEMBL1489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Azacitidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958532", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958532, "molecule_chembl_id": "CHEMBL1394231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.59", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 1a [PMID: 23597791]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2cccs2)c2sccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958534", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "M-MPEP", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958534, "molecule_chembl_id": "CHEMBL332397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C#Cc2cccc(C)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963562", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963562, "molecule_chembl_id": "CHEMBL96606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.42", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY231617"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.791", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957031", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957031, "molecule_chembl_id": "CHEMBL393929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962903", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOBENPROPIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962903, "molecule_chembl_id": "CHEMBL14690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.84", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clobenpropit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959467", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDETOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959467, "molecule_chembl_id": "CHEMBL1573178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.42", "alogp": "-0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959469", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFOPAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959469, "molecule_chembl_id": "CHEMBL465026", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.35", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFOPAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCOC(c2ccccc2)c2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148742", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148742, "molecule_chembl_id": "CHEMBL4060831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ015666"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958845", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIBUTRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958845, "molecule_chembl_id": "CHEMBL3989830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sibutramine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.806", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963065", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963065, "molecule_chembl_id": "CHEMBL4303234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.54", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AS-2034178"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc3c2CCCN3CCOc2ccccc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963066", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963066, "molecule_chembl_id": "CHEMBL312607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.21", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BL-5583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963452", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOGLIPTIN BENZOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963452, "molecule_chembl_id": "CHEMBL227529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.52", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOGLIPTIN BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958852", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958852, "molecule_chembl_id": "CHEMBL4", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152057", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEMORUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152057, "molecule_chembl_id": "CHEMBL1232279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "643.64", "alogp": "0.35", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "nemorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151519", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTATHIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151519, "molecule_chembl_id": "CHEMBL1543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "-2.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GLUTATHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151520", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151520, "molecule_chembl_id": "CHEMBL364869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.26", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indane-5-sulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc2c(c1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149962", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149962, "molecule_chembl_id": "CHEMBL3410223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.78", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CTEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146243", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISMUTH SUBGALLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146243, "molecule_chembl_id": "CHEMBL1592101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "bismuth-subgallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154469", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154469, "molecule_chembl_id": "CHEMBL2135651", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin (Procoxacin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)O)C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153843", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFIMOXIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153843, "molecule_chembl_id": "CHEMBL489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "AFIMOXIFENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958387", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958387, "molecule_chembl_id": "CHEMBL1269202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.58", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961781", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETRIMONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961781, "molecule_chembl_id": "CHEMBL307346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.46", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CETRIMONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957186", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KU-55933", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957186, "molecule_chembl_id": "CHEMBL222102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU-55933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154470", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154470, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12060.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957198", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957198, "molecule_chembl_id": "CHEMBL1628668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.63", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "W54011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963181", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963181, "molecule_chembl_id": "CHEMBL2360047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tiquizium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N@+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962897", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962897, "molecule_chembl_id": "CHEMBL4303490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUN-11602"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c(NCC(=O)N(C)C2CCN(Cc3ccc(C(N)=O)cc3)CC2)c(C)c(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUCILLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960801, "molecule_chembl_id": "CHEMBL80830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.32", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Bucillamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956027", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCYLLITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956027, "molecule_chembl_id": "CHEMBL468154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Cocositol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956295", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956295, "molecule_chembl_id": "CHEMBL4540722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "YKL-06-061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)C(=O)N(c1c(C)cccc1C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955528", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955528, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Leflox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955877", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955877, "molecule_chembl_id": "CHEMBL4529495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.28", "alogp": "-1.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-(4-carboxyphenyl)-alpha-D-mannopyranosylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955533", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1-METHYLTRYPTOPHAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955533, "molecule_chembl_id": "CHEMBL513172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-MT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(CC(N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960309", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GIVINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960309, "molecule_chembl_id": "CHEMBL1213492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ITF2357 (Givinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.082", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955535", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955535, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Nilotinib hydrochloride monohydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955538", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OROTIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955538, "molecule_chembl_id": "CHEMBL1235017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Orotic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956433", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOXACILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956433, "molecule_chembl_id": "CHEMBL891", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOXACILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955895", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LETOSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955895, "molecule_chembl_id": "CHEMBL2105044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Letosteine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CSCCC1NC(C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960673", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960673, "molecule_chembl_id": "CHEMBL3911801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "617.63", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2584702 tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.501", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961403", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAROXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961403, "molecule_chembl_id": "CHEMBL1708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.83", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAROXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150242", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150242, "molecule_chembl_id": "CHEMBL218490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.45", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dorzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154199", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154199, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3940.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENAPANOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149702, "molecule_chembl_id": "CHEMBL3304485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1145.07", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "TENAPANOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150050", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE IIA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150050, "molecule_chembl_id": "CHEMBL187266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANSHINONE IIA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150267", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREOSULFAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150267, "molecule_chembl_id": "CHEMBL455186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.30", "alogp": "-2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Treosulfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150268", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150268, "molecule_chembl_id": "CHEMBL186526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-336372"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154223", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.92", "bao_label": "organism-based format", "molecule_pref_name": "CFI-400945", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154223, "molecule_chembl_id": "CHEMBL3408947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CFI-400945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11910.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154575", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154575, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.24", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154379", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154379, "molecule_chembl_id": "CHEMBL4303199", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "casin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149880", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149880, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149885", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149885, "molecule_chembl_id": "CHEMBL379761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.87", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-FPR-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154432", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IDARUBICIN", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154432, "molecule_chembl_id": "CHEMBL1117", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "497.50", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ML069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "200.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145573", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145573, "molecule_chembl_id": "CHEMBL4303589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.25", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NS-11021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nnn[nH]2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961222", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRACAZOLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961222, "molecule_chembl_id": "CHEMBL84567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tracazolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956555", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956555, "molecule_chembl_id": "CHEMBL123446", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.40", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM 242421"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(Cc1cc2c(O)nc(C)nc2cc1Br)c1ccc(C(=O)NCc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956392", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956392, "molecule_chembl_id": "CHEMBL4476770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.85", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR-20347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956351", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956351, "molecule_chembl_id": "CHEMBL231616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.25", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1ncccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961170", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961170, "molecule_chembl_id": "CHEMBL1256014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.69", "alogp": "-1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-NAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-].Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELITRECTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956405, "molecule_chembl_id": "CHEMBL4297627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.43", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LOXO-195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836152", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.188677783,0.075442806)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICERGOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836152, "molecule_chembl_id": "CHEMBL1372950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1321", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831360", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831360, "molecule_chembl_id": "CHEMBL256470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LPA2 ANTAGONIST 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836236", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIMASARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836236, "molecule_chembl_id": "CHEMBL1951143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.66", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fimasartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831365", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELPHINIDIN CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831365, "molecule_chembl_id": "CHEMBL590878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.70", "alogp": "2.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DELPHINIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830926", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830926, "molecule_chembl_id": "CHEMBL200381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.84", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-S-7006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831372", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUGGULSTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831372, "molecule_chembl_id": "CHEMBL410683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836244", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMETHASONE PIVALATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836244, "molecule_chembl_id": "CHEMBL1200877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.58", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flumethasone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4081", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836247", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPENTIXOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836247, "molecule_chembl_id": "CHEMBL54661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.53", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "flupentixol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1196", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831376", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831376, "molecule_chembl_id": "CHEMBL269881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU-2058"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836321", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INGENOL MEBUTATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836321, "molecule_chembl_id": "CHEMBL1863513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ingenol-3-angelate, PEP005, Picato"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836323", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836323, "molecule_chembl_id": "CHEMBL64391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Itraconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05218", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836327", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836327, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05683", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827318", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827318, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.09", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831148", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARBUTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831148, "molecule_chembl_id": "CHEMBL232202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.25", "alogp": "-1.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ARBUTIN (UVA, P-ARBUTIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835973", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBUFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835973, "molecule_chembl_id": "CHEMBL277522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenbufen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835977", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOZOCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835977, "molecule_chembl_id": "CHEMBL1651906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STREPTOZOTOCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836197", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILDAGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836197, "molecule_chembl_id": "CHEMBL142703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vildagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831184", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831184, "molecule_chembl_id": "CHEMBL247070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AIM-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831383", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831383, "molecule_chembl_id": "CHEMBL273083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.67", "alogp": "4.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-CCR2-22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831815", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSILYBIN A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831815, "molecule_chembl_id": "CHEMBL592676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SILYMARIN (SILYBIN B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831823", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831823, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147260", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147260, "molecule_chembl_id": "CHEMBL500576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "680.76", "alogp": "9.76", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Temoporfin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)CC4)C=C3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146969", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146969, "molecule_chembl_id": "CHEMBL484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.19", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Adefovir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2CCOCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147885", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIBEGRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147885, "molecule_chembl_id": "CHEMBL545437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "amibegron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146883", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146883, "molecule_chembl_id": "CHEMBL2381517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD73954"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cccc(C(=O)NCCc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153853", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153853, "molecule_chembl_id": "CHEMBL3828009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.32", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2874455"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146093", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPINEPHRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146093, "molecule_chembl_id": "CHEMBL679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829007", "_score": 6.4231606, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829007, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Opipramol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831158", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831158, "molecule_chembl_id": "CHEMBL392525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.03", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT129202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Cl)cnc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831314", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPERAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831314, "molecule_chembl_id": "CHEMBL260374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.45", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830566", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830566, "molecule_chembl_id": "CHEMBL465477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIZOCILPINE-(-) MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834774", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.72 \u00b1 1.89", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834774, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HOMOHARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1720.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830218", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CASTANOSPERMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830218, "molecule_chembl_id": "CHEMBL311226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "-2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CASTANOSPERMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829698", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829698, "molecule_chembl_id": "CHEMBL1256773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.25", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-205-557"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835264", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835264, "molecule_chembl_id": "CHEMBL3360855", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "4.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ005687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02871", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834653", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834653, "molecule_chembl_id": "CHEMBL4303307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.06", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PYRVINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833771", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833771, "molecule_chembl_id": "CHEMBL3039470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.66", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TENIPOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)OC5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829998", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829998, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FORSKOLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834850", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834850, "molecule_chembl_id": "CHEMBL3350262", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DCPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830152", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VADIMEZAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830152, "molecule_chembl_id": "CHEMBL71263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DMXAA (VADIMEZAN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832102", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUVANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832102, "molecule_chembl_id": "CHEMBL2104980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.90", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRUVANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836002", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAZOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836002, "molecule_chembl_id": "CHEMBL611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.44", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "terazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838666", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE/INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838666, "molecule_chembl_id": "CHEMBL254578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "268.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833676", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833676, "molecule_chembl_id": "CHEMBL1455497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "134.09", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MALIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831289", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-NAPHTHALIMIDOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831289, "molecule_chembl_id": "CHEMBL403272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isodibut"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153297", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOVAQUONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153297, "molecule_chembl_id": "CHEMBL1450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.84", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ATOVAQUONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833075", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833075, "molecule_chembl_id": "CHEMBL2169920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.55", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ505 (DITRIFLUOROACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830068", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830068, "molecule_chembl_id": "CHEMBL61723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.33", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCO 400"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833425", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTIRATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833425, "molecule_chembl_id": "CHEMBL3545365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.47", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ALTIRATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827741", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROPROPIZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827741, "molecule_chembl_id": "CHEMBL151445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.32", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dropropizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834742", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "10.3 \u00b1 1.62", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834742, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "POLIDOCANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10300.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830053", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAMIPHEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830053, "molecule_chembl_id": "CHEMBL1598472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARAMIPHEN, PARPANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828278", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENAZOPYRIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828278, "molecule_chembl_id": "CHEMBL1201022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.71", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenazopyridine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830083", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOXISTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830083, "molecule_chembl_id": "CHEMBL63440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALOXISTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828665", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828665, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rufinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3352", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828287", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTAMBEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828287, "molecule_chembl_id": "CHEMBL127516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUTAMBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828713", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTICAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828713, "molecule_chembl_id": "CHEMBL1200819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.84", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Articaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4088", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834719", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "15.13 \u00b1 7.45", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.82", "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834719, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORATADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15130.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832535", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOPROPIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832535, "molecule_chembl_id": "CHEMBL1605835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.18", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLOPROPIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832791", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832791, "molecule_chembl_id": "CHEMBL1982660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.31", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-1070722"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828364", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILEVALOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828364, "molecule_chembl_id": "CHEMBL27193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dilevalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834714", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "6.07 \u00b1 0.12", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.22", "bao_label": "organism-based format", "molecule_pref_name": "DROTAVERINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834714, "molecule_chembl_id": "CHEMBL551978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROTAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6070.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829964", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIZATRIPTAN BENZOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829964, "molecule_chembl_id": "CHEMBL1201032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.48", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIZATRIPTAN BENZOATE (MAXALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828721", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828721, "molecule_chembl_id": "CHEMBL1329032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.26", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Spaglumic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8884", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828669", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828669, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mizoribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828789", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRETYLIUM TOSYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828789, "molecule_chembl_id": "CHEMBL1095292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.37", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bretylium tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833488", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833488, "molecule_chembl_id": "CHEMBL3739699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832104", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INOSITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832104, "molecule_chembl_id": "CHEMBL1222251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "INOSITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838871", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST ASSAY INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838871, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Midostaurin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "144.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831788", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMEPROMAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831788, "molecule_chembl_id": "CHEMBL1764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.48", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOMEPROMAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838737", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2a adrenergic receptor", "pchembl_value": "6.77", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303095", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1867", "activity_id": 18838737, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "169.82", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "1.67", "sei": "54.29", "bei": "19.69", "le": "0.39"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832986", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFACETAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832986, "molecule_chembl_id": "CHEMBL2106951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHTHALYLSULFACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828891", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828891, "molecule_chembl_id": "CHEMBL608289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azacytidine-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2471", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836547", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836547, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.443", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832112", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMIVAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832112, "molecule_chembl_id": "CHEMBL1229908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMIVAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828444", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828444, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830720", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR ETHANOLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830720, "molecule_chembl_id": "CHEMBL1201127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.74", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DARUNAVIR ETHANOLATE (PREZISTA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835429", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835429, "molecule_chembl_id": "CHEMBL1173655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "afatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835050", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICOTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835050, "molecule_chembl_id": "CHEMBL1257015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.42", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "picotamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830749", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMITAPIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830749, "molecule_chembl_id": "CHEMBL354541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "693.73", "alogp": "8.38", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LOMITAPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832039", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTROLENE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832039, "molecule_chembl_id": "CHEMBL928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.24", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DANTROLENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836522", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMOTIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836522, "molecule_chembl_id": "CHEMBL902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Famotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1617", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836524", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECNIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836524, "molecule_chembl_id": "CHEMBL498847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "secnidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831655", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831655, "molecule_chembl_id": "CHEMBL458997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.95", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TAE226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835412", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZACAMENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835412, "molecule_chembl_id": "CHEMBL2104261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.37", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Methylbenzylidene camphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835609", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUPROMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835609, "molecule_chembl_id": "CHEMBL570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.43", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triflupromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835938", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835938, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Empagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835908", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLUPREDNATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835908, "molecule_chembl_id": "CHEMBL1201749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Difluprednate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1389", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831038", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831038, "molecule_chembl_id": "CHEMBL1430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLAMINE (CUPRIMINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831063", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831063, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ZANAMIVIR (RELENZA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834689", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.1 \u00b1 0.39", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.96", "bao_label": "organism-based format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834689, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR DIPIVOXIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829988, "molecule_chembl_id": "CHEMBL922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.48", "alogp": "2.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ADEFOVIR DIPIVOXIL (PREVEON, HEPSERA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827853", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISACODYL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827853, "molecule_chembl_id": "CHEMBL942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bisacodyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.005023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831936", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMITRINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831936, "molecule_chembl_id": "CHEMBL3181957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.78", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALMITRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832769", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADP-597", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832769, "molecule_chembl_id": "CHEMBL1951032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.56", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APD597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833151", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEBRANOPADOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833151, "molecule_chembl_id": "CHEMBL2364605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.49", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CEBRANOPADOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832771", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832771, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828069", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOFANTRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828069, "molecule_chembl_id": "CHEMBL1200901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.89", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835843", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAMBUTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835843, "molecule_chembl_id": "CHEMBL521589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "bambuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827341", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827341, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "390.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827342", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827342, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830352", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBRISENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830352, "molecule_chembl_id": "CHEMBL1111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMBRISENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829978", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARBACLOFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829978, "molecule_chembl_id": "CHEMBL301742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(R)-BACLOFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832709", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832709, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827945", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827945, "molecule_chembl_id": "CHEMBL58510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine diphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828029", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENILCONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828029, "molecule_chembl_id": "CHEMBL356918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.19", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Enilconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832746", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832746, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "69.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828426", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLNAFTATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828426, "molecule_chembl_id": "CHEMBL83668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolnaftate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5943", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835784", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROTIGOTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835784, "molecule_chembl_id": "CHEMBL1303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rotigotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1872", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835772", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835772, "molecule_chembl_id": "CHEMBL1865120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "-2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ribitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)C(O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835815", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORAPAXAR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835815, "molecule_chembl_id": "CHEMBL493982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.59", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "vorapaxar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1452", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830525", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUBOCURARINE CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830525, "molecule_chembl_id": "CHEMBL3989821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "771.73", "alogp": "6.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TUBOCURARINE CHLORIDE PENTAHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835441", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVIMOPAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835441, "molecule_chembl_id": "CHEMBL270190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.54", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "alvimopan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830534", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMANIROLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830534, "molecule_chembl_id": "CHEMBL419792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SUMANIROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833386", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833386, "molecule_chembl_id": "CHEMBL3414574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EI1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835303", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTRINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835303, "molecule_chembl_id": "CHEMBL1868702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gestrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835566", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMADINONE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835566, "molecule_chembl_id": "CHEMBL110691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chlormadinone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.249", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828433", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828433, "molecule_chembl_id": "CHEMBL1411735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.17", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zimelidine dihydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C(\\c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835124", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE IIA SULFONATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835124, "molecule_chembl_id": "CHEMBL1473252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tanshinone IIA sulfonate sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827763", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERHEXILINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827763, "molecule_chembl_id": "CHEMBL1334033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.57", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Perhexiline maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835570", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835570, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilostazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.005558", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832696", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832696, "molecule_chembl_id": "CHEMBL1793884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.42", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHORTRESS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H](N)CCCCN.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830411", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIDOXEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830411, "molecule_chembl_id": "CHEMBL1256774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOXEPIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835120", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TADALAFIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835120, "molecule_chembl_id": "CHEMBL779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.41", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tadalafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835123", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835123, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Am80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3232", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835588", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERIDOLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835588, "molecule_chembl_id": "CHEMBL1623992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.44", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piperidolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.179", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835589", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRIBEDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835589, "molecule_chembl_id": "CHEMBL1371770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piribedil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835593", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMBELIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835593, "molecule_chembl_id": "CHEMBL221137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.39", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propranolol-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833609", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833609, "molecule_chembl_id": "CHEMBL4303350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-ETHYL (-)-THIAZOLIDINE-3,4-DICARBOXYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828182", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPIRIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828182, "molecule_chembl_id": "CHEMBL25", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aspirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9864", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828187", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAPRAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828187, "molecule_chembl_id": "CHEMBL1200876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.98", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Doxapram hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832556, "molecule_chembl_id": "CHEMBL1616372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.73", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACDPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835729", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMDINOCILLIN PIVOXIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835729, "molecule_chembl_id": "CHEMBL1650818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pivmecillinam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.008594", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828077", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828077, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etomidate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4693", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829984", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829984, "molecule_chembl_id": "CHEMBL918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENACEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NC(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832783", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENBUTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832783, "molecule_chembl_id": "CHEMBL1972268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.27", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MENBUTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CCC(=O)O)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834600", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMIMAZOLAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834600, "molecule_chembl_id": "CHEMBL4297526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.31", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "REMIMAZOLAM (BENZENESULFONATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827987", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOXYBENZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827987, "molecule_chembl_id": "CHEMBL1326877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dioxybenzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832378", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832378, "molecule_chembl_id": "CHEMBL1436543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TENOVIN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833013", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZATIOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833013, "molecule_chembl_id": "CHEMBL2110585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.66", "alogp": "2.50", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "EZATIOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829438", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829438, "molecule_chembl_id": "CHEMBL1788135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.49", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)-PIPERIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834062", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834062, "molecule_chembl_id": "CHEMBL4303317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L (+)-RHAMNOSE MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833164", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833164, "molecule_chembl_id": "CHEMBL2385597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828464", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROXICAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828464, "molecule_chembl_id": "CHEMBL527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIROXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828465", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828465, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemfibrozil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834170", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834170, "molecule_chembl_id": "CHEMBL4303390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY393558"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1Cc2cc(S(C)(=O)=O)ccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833172", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833172, "molecule_chembl_id": "CHEMBL2392189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUAIFENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829579", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAZOSIN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829579, "molecule_chembl_id": "CHEMBL1200561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.59", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXAZOSIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829973", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829973, "molecule_chembl_id": "CHEMBL52030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.37", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-655,708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834232", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834232, "molecule_chembl_id": "CHEMBL4303178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.64", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COLFORSIN-DAPROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827673", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPROPERAZINE MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827673, "molecule_chembl_id": "CHEMBL1481539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.86", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thioproperazine dimesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834183", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834183, "molecule_chembl_id": "CHEMBL4303334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.64", "alogp": "-3.88", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NOV-002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829149", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829149, "molecule_chembl_id": "CHEMBL51", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833655", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROGLITAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833655, "molecule_chembl_id": "CHEMBL408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.55", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TROGLITAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828843", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALACYCLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828843, "molecule_chembl_id": "CHEMBL1201110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.80", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valacyclovir hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01019", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834279", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834279, "molecule_chembl_id": "CHEMBL4303270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-ERGOTHIONEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829608", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829608, "molecule_chembl_id": "CHEMBL28324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "721.86", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KN-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827904", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827904, "molecule_chembl_id": "CHEMBL1255738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.17", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Iobenguane sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NCc1cccc(I)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829514", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALANTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829514, "molecule_chembl_id": "CHEMBL659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GALANTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834116", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAXALONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834116, "molecule_chembl_id": "CHEMBL1079604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METAXALONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832364", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832364, "molecule_chembl_id": "CHEMBL1416055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.52", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PETCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](Cc1ccncc1)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833097", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833097, "molecule_chembl_id": "CHEMBL2181247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.37", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPBAR-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2nccc(-c3ccccc3F)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828395", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPIVEFRIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828395, "molecule_chembl_id": "CHEMBL1200833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.90", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dipivefrin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834114", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834114, "molecule_chembl_id": "CHEMBL4303662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.55", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AUTOTAXIN MODULATOR 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832659", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832659, "molecule_chembl_id": "CHEMBL1515091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.79", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BQ-788 (SODIUM SALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832630", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETOZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832630, "molecule_chembl_id": "CHEMBL1697853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETOZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833117", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833117, "molecule_chembl_id": "CHEMBL2311933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.66", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829294", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUTAMOREN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829294, "molecule_chembl_id": "CHEMBL2105872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "624.78", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "IBUTAMOREN (MESYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832944", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832944, "molecule_chembl_id": "CHEMBL2359165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.03", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENIDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832723", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBRUTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832723, "molecule_chembl_id": "CHEMBL1873475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.51", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PCI-32765 (IBRUTINIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832947", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOVAROTENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832947, "molecule_chembl_id": "CHEMBL2105648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "6.15", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "PALOVAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829306", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CI-218872", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829306, "molecule_chembl_id": "CHEMBL13662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.24", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-218872"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828134", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828134, "molecule_chembl_id": "CHEMBL1200440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.82", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mepivacaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832842", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832842, "molecule_chembl_id": "CHEMBL2046669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.12", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-110381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)nc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828141", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTERMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828141, "molecule_chembl_id": "CHEMBL1200912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.70", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phentermine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)Cc1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828142", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMCICLOVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828142, "molecule_chembl_id": "CHEMBL880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Famciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2587", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832848", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSIMENDAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832848, "molecule_chembl_id": "CHEMBL2051955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.29", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVOSIMENDAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832853", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832853, "molecule_chembl_id": "CHEMBL2058533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TUG-891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829402", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOLDOPAM MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829402, "molecule_chembl_id": "CHEMBL1026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.87", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOLDOPAM MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834291", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESMINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834291, "molecule_chembl_id": "CHEMBL4296717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RESMINOSTAT (RAS2410)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833571", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833571, "molecule_chembl_id": "CHEMBL4075936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FPS-ZM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829595", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMIVUDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829595, "molecule_chembl_id": "CHEMBL141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMIVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834110", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834110, "molecule_chembl_id": "CHEMBL4303365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.99", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI16198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCSCc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828875", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828875, "molecule_chembl_id": "CHEMBL4303718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.37", "alogp": "1.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bucladesine sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2563", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)([O-])OC[C@H]2[C@H]1OC(=O)CCC.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834332", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834332, "molecule_chembl_id": "CHEMBL2134092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITX3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832377", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832377, "molecule_chembl_id": "CHEMBL1436478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOPENTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CC1CCCC1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835704", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BESIFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835704, "molecule_chembl_id": "CHEMBL1201760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.85", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Besifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1261", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835865", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835865, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Colchicine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.376", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835240", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLUNISAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835240, "molecule_chembl_id": "CHEMBL898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.20", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diflunisal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829021", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829021, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832753", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD1981", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832753, "molecule_chembl_id": "CHEMBL1914489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.88", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD1981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835537", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.56919686,0.251189562)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACRITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835537, "molecule_chembl_id": "CHEMBL2035187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pacritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835544", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZUFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835544, "molecule_chembl_id": "CHEMBL240163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.30", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pazufloxacin mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835547", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTAGASTRIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835547, "molecule_chembl_id": "CHEMBL1328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "767.91", "alogp": "1.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "pentagastrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833731", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833731, "molecule_chembl_id": "CHEMBL3039315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE CAPROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831758", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831758, "molecule_chembl_id": "CHEMBL568305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.56", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPP-78"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835672", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCABASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835672, "molecule_chembl_id": "CHEMBL1615438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.53", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levocabastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835526", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.318337975,0.183461895)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835526, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "orlistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2509", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828045", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMADINONE ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828045, "molecule_chembl_id": "CHEMBL110691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chlormadinone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835529", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835529, "molecule_chembl_id": "CHEMBL4303720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "oxaliplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835765", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANOLAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835765, "molecule_chembl_id": "CHEMBL1404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ranolazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838858", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "U-SHAPED RESPONSE TEST AT LOWER CONC.", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838858, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "161.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832105", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832105, "molecule_chembl_id": "CHEMBL1222381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISX-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CC1)c1cc(-c2cccs2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835614", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLOSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835614, "molecule_chembl_id": "CHEMBL502135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.13", "alogp": "-2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Xylose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1093", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1OC[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828929", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOSEQUINAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828929, "molecule_chembl_id": "CHEMBL1908307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flosequinan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831933", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831933, "molecule_chembl_id": "CHEMBL221753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.09", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZETHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838886", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838886, "molecule_chembl_id": "CHEMBL4226570", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1002.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.523", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828000", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828000, "molecule_chembl_id": "CHEMBL1405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Estrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9303", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833149", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833149, "molecule_chembl_id": "CHEMBL2357012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-ANILINOPROPAN-1-OL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828154", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXRAZOXANE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828154, "molecule_chembl_id": "CHEMBL1738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexrazoxane hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828170", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONTELUKAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828170, "molecule_chembl_id": "CHEMBL787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "586.20", "alogp": "8.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Montelukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827751", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827751, "molecule_chembl_id": "CHEMBL1200462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Doxepin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2COc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831695", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINCHONIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831695, "molecule_chembl_id": "CHEMBL533841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836570", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.165375543,-0.014530533)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836570, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07542", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834594", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834594, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MIZORIBINE (BREDININ)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCABASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832552, "molecule_chembl_id": "CHEMBL1237102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.99", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOCABASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832784", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832784, "molecule_chembl_id": "CHEMBL1972527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CYM-50769"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835277", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835277, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1371", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828436", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROHEPTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828436, "molecule_chembl_id": "CHEMBL1716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.87", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyproheptadine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832694, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUXOLITINIB (INCB018424)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827992", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URAPIDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827992, "molecule_chembl_id": "CHEMBL1256716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.95", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Urapidil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.607", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832114", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832114, "molecule_chembl_id": "CHEMBL1230004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838879", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838879, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.936", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836144", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPROXEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836144, "molecule_chembl_id": "CHEMBL154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.26", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "naproxen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1887", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835851", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAZOCHROME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835851, "molecule_chembl_id": "CHEMBL2051960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carbazochrome"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(O)C2=C/C(=N/NC(N)=O)C(=O)C=C21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831899", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831899, "molecule_chembl_id": "CHEMBL1082462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBPR108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830697", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROTIGOTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830697, "molecule_chembl_id": "CHEMBL1303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROTIGOTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833154", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALIMETINIB MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833154, "molecule_chembl_id": "CHEMBL2364627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.75", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY2228820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835528", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSPEMIFENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835528, "molecule_chembl_id": "CHEMBL2105395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ospemifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830835", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830835, "molecule_chembl_id": "CHEMBL188434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.41", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-747651A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834663", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBUTALINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834663, "molecule_chembl_id": "CHEMBL1315867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.66", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBUTALINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829898", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829898, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HOMOHARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830385", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830385, "molecule_chembl_id": "CHEMBL430483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETONOGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3C(=C)CC21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832790", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832790, "molecule_chembl_id": "CHEMBL1982368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.77", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JIB04 (NSC693627)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "106.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(N/N=C(\\c2ccccc2)c2ccccn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833633", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STRYCHNINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833633, "molecule_chembl_id": "CHEMBL2103753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STRYCHNINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831690", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831690, "molecule_chembl_id": "CHEMBL444449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.37", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831778", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENSPIRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831778, "molecule_chembl_id": "CHEMBL1256849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.80", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENSPIRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827737", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827737, "molecule_chembl_id": "CHEMBL1728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.81", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lomefloxacin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834734", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "20.64 \u00b1 12.93", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.68", "bao_label": "organism-based format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834734, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETIFOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832607", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832607, "molecule_chembl_id": "CHEMBL1651026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1393.68", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "[SAR9,MET(O2)11]-SUBSTANCE P"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831856", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAEONOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831856, "molecule_chembl_id": "CHEMBL1079227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAEONOL (PEONOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)=O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838810", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838810, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "234.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830043", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830043, "molecule_chembl_id": "CHEMBL1788380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.23", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TECASTEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828888", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXITHROMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828888, "molecule_chembl_id": "CHEMBL1214185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "837.06", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Roxithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08196", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833599", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833599, "molecule_chembl_id": "CHEMBL1712246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.78", "alogp": "8.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FULVESTRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828900", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZIODARONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828900, "molecule_chembl_id": "CHEMBL232201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.09", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Benziodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2585", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838814", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2a adrenergic receptor", "pchembl_value": "5.19", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303095", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1867", "activity_id": 18838814, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6456.54", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.41", "sei": "10.73", "bei": "15.45", "le": "0.31"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831871", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINSITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831871, "molecule_chembl_id": "CHEMBL1091644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OSI-906 (LINSITINIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831889", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONESIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831889, "molecule_chembl_id": "CHEMBL1096146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.98", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PONESIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831892", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INTEPIRDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831892, "molecule_chembl_id": "CHEMBL1083390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB-742457"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831893", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831893, "molecule_chembl_id": "CHEMBL2430359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "665.68", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-00562271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834735", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "20.82 \u00b1 0.45", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.68", "bao_label": "organism-based format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834735, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXICONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20820.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828824", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZACYCLONOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828824, "molecule_chembl_id": "CHEMBL127508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.37", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azacyclonol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C1CCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833589", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELNIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833589, "molecule_chembl_id": "CHEMBL1275868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.66", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "AZELNIDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E-64C", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830082, "molecule_chembl_id": "CHEMBL418661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOXISTATIN ACID (E-64C)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835285", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNIXIN MEGLUMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835285, "molecule_chembl_id": "CHEMBL1733447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.46", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flunixin-meglumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2448", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830027", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTEMOTIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830027, "molecule_chembl_id": "CHEMBL301267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARTEMOTIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830030", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOSAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830030, "molecule_chembl_id": "CHEMBL58323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.30", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830296", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAMEPROCOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830296, "molecule_chembl_id": "CHEMBL90983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.48", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TERAMEPROCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835223", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPHOSPHAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835223, "molecule_chembl_id": "CHEMBL88", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(N(CCCl)CCCl)NCCCO1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827831", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827831, "molecule_chembl_id": "CHEMBL543876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.50", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR 12909 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1375", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834240", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834240, "molecule_chembl_id": "CHEMBL4303404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834246", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMAPIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834246, "molecule_chembl_id": "CHEMBL2107779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "744.91", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "SEMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/NC(=N)N)cc(/C(C)=N/NC(=N)N)c2)cc(/C(C)=N/NC(=N)N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829548", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP-99994", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829548, "molecule_chembl_id": "CHEMBL441225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-99994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827652", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANAZOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827652, "molecule_chembl_id": "CHEMBL1479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DANAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829556, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMPRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827872", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILOCARPINE NITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827872, "molecule_chembl_id": "CHEMBL1213136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pilocarpine nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0211", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832262", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832262, "molecule_chembl_id": "CHEMBL1329032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.26", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPAGLUMIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829419", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYSTEAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829419, "molecule_chembl_id": "CHEMBL1256137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.61", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYSTEAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833453", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833453, "molecule_chembl_id": "CHEMBL3601951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.39", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS2002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(-c2ccc3occ(-c4ccc([S+](C)[O-])cc4)c3c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833456", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833456, "molecule_chembl_id": "CHEMBL3605457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "3.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CPI-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827555", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827555, "molecule_chembl_id": "CHEMBL1484857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Succinylsulfathiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832273", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832273, "molecule_chembl_id": "CHEMBL1332361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829424", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829424, "molecule_chembl_id": "CHEMBL1256863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-CARBOXAMIDOTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832285", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832285, "molecule_chembl_id": "CHEMBL1341792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.44", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-16020046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2[nH]nc3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829542", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-778123", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829542, "molecule_chembl_id": "CHEMBL4297396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.35", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-778123 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834113", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834113, "molecule_chembl_id": "CHEMBL1498001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KL-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832720", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIVAGABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832720, "molecule_chembl_id": "CHEMBL1870796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.24", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PIVAGABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833582", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833582, "molecule_chembl_id": "CHEMBL4061538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.13", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PX-478 2HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.N[C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833546", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALAFOSFALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833546, "molecule_chembl_id": "CHEMBL3989665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.14", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALAFOSFALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](C)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833384", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833384, "molecule_chembl_id": "CHEMBL3410223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.78", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CTEP (RO4956371)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "59.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833689", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XIBENOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833689, "molecule_chembl_id": "CHEMBL347795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.37", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XIBENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(OCC(O)CNC(C)(C)C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833793", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833793, "molecule_chembl_id": "CHEMBL348890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.43", "alogp": "6.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DR-4485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccc(Cl)cc2)CC1)CCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828991", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.29", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828991, "molecule_chembl_id": "CHEMBL1435413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinidine hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5110.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832425", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832425, "molecule_chembl_id": "CHEMBL1476996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(OCc1ccccc1)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827723", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827723, "molecule_chembl_id": "CHEMBL1256772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tiapride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833323", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833323, "molecule_chembl_id": "CHEMBL3188657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.64", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0812 (SUCCINATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828622", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828622, "molecule_chembl_id": "CHEMBL3188936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.33", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Trehalose dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORINIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833801, "molecule_chembl_id": "CHEMBL3884248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.29", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MORINIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832653", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REBASTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832653, "molecule_chembl_id": "CHEMBL1738757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.60", "alogp": "6.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DCC-2036 (REBASTINIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832750", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK3207", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832750, "molecule_chembl_id": "CHEMBL1910936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.60", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-3207 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832752", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832752, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832817", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832817, "molecule_chembl_id": "CHEMBL2017291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.45", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BET151 (GSK1210151A)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832691", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832691, "molecule_chembl_id": "CHEMBL2093109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.86", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETHOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828123", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFABUTIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828123, "molecule_chembl_id": "CHEMBL444633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "847.02", "alogp": "4.62", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Rifabutin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5969", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828439", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPICILLIN TRIHYDRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828439, "molecule_chembl_id": "CHEMBL453388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.46", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ampicillin trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833182", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833182, "molecule_chembl_id": "CHEMBL2409106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.32", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-297"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832496", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832496, "molecule_chembl_id": "CHEMBL1554655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFTRINH-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829315", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1-PHENYLBIGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829315, "molecule_chembl_id": "CHEMBL3039205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.67", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-PHENYLBIGUANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VACTOSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833298, "molecule_chembl_id": "CHEMBL3260567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EW-7197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828545", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEXIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828545, "molecule_chembl_id": "CHEMBL17860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lofexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03818", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832397", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYROCETYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832397, "molecule_chembl_id": "CHEMBL1451173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.19", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPYROCETYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829411", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-ALANINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829411, "molecule_chembl_id": "CHEMBL279597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-ALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832385", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832385, "molecule_chembl_id": "CHEMBL1443163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.37", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-3M3FBS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833300, "molecule_chembl_id": "CHEMBL3264002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.47", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO5126766 (CH5126766)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827859", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXATIDINE ACETATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827859, "molecule_chembl_id": "CHEMBL2104871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.90", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Roxatidine acetate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829581", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URAPIDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829581, "molecule_chembl_id": "CHEMBL1256716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.95", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "URAPIDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834233", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834233, "molecule_chembl_id": "CHEMBL4303269", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.86", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPR120 MODULATOR 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828305", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828305, "molecule_chembl_id": "CHEMBL1256284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.25", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R) Naproxen sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827713", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRATRICOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827713, "molecule_chembl_id": "CHEMBL41632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.93", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Tiratricol, 3,3',5-triiodothyroacetic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3152", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832575", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THONZYLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832575, "molecule_chembl_id": "CHEMBL1529802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.84", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THONZYLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829031", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829031, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834763", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "13.52 \u00b1 1.23", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834763, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13520.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829255", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2,4-DINITROPHENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829255, "molecule_chembl_id": "CHEMBL273386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.11", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2,4-DINITROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827663", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827663, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Perphenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833539", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMBRALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833539, "molecule_chembl_id": "CHEMBL3948730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.56", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "UMBRALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828493", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLENBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828493, "molecule_chembl_id": "CHEMBL1330729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.66", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clenbuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833065", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833065, "molecule_chembl_id": "CHEMBL2159495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.23", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "P5091 (P005091)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833031", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAVANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833031, "molecule_chembl_id": "CHEMBL2111101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.56", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIMAVANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832926", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORTIOXETINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832926, "molecule_chembl_id": "CHEMBL2107387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.37", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORTIOXETINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827887", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827887, "molecule_chembl_id": "CHEMBL542832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.81", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tosufloxacin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828334", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOCETAMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828334, "molecule_chembl_id": "CHEMBL1200770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.96", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Iocetamic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834111", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834111, "molecule_chembl_id": "CHEMBL1201014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE SODIUM PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833049", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833049, "molecule_chembl_id": "CHEMBL2140523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.56", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833250", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833250, "molecule_chembl_id": "CHEMBL3182327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832567", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832567, "molecule_chembl_id": "CHEMBL1415927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.94", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-96544"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833261", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833261, "molecule_chembl_id": "CHEMBL3185148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.32", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-98014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832369", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832369, "molecule_chembl_id": "CHEMBL1430530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(C2=NOC3C4CCC(C4)C23)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829147", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSPIRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829147, "molecule_chembl_id": "CHEMBL1200399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.97", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUSPIRONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833209", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE ELAIDATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833209, "molecule_chembl_id": "CHEMBL3039516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.65", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "GEMCITABINE (ELAIDATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "111.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828329", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHADIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828329, "molecule_chembl_id": "CHEMBL1099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.11", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dimethadione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04716", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828330", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTACAINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828330, "molecule_chembl_id": "CHEMBL129529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828229", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828229, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltitrexed"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833054", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833054, "molecule_chembl_id": "CHEMBL2144069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ-628"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829447", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829447, "molecule_chembl_id": "CHEMBL3989562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.93", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERAZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832562", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNIXIN MEGLUMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832562, "molecule_chembl_id": "CHEMBL1733447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.46", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUNIXIN MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829072", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829072, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOMIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829869", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829869, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPURINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833984", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYLNOREPINEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833984, "molecule_chembl_id": "CHEMBL1322824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.69", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYLNOREPINEPHRINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(N)C(O)c1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832574", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRASTININE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832574, "molecule_chembl_id": "CHEMBL1517651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.69", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDRASTININE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2C1O)OCO3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827815", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827815, "molecule_chembl_id": "CHEMBL1256818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.33", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan hydrobromide monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831210", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIHEXYPHENIDYL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831210, "molecule_chembl_id": "CHEMBL1092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.94", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIHEXYPHENIDYL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836098", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBICAR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836098, "molecule_chembl_id": "CHEMBL3707390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mebicar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(C)C2C1N(C)C(=O)N2C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836106", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPENZOLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836106, "molecule_chembl_id": "CHEMBL524004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.44", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mepenzolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829812", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829812, "molecule_chembl_id": "CHEMBL43185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.34", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PIPERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829826", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMODIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829826, "molecule_chembl_id": "CHEMBL289277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMODIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830128", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830128, "molecule_chembl_id": "CHEMBL1356971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.68", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-DEOXYCYTIDINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834810", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834810, "molecule_chembl_id": "CHEMBL2094620", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833201", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLICERIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833201, "molecule_chembl_id": "CHEMBL2443262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLICERIDINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833067", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GR-79236", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833067, "molecule_chembl_id": "CHEMBL2163568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.36", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-79236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICYCLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831552, "molecule_chembl_id": "CHEMBL482035", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.34", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BICYCLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(CO)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831554", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831554, "molecule_chembl_id": "CHEMBL444478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "624.59", "alogp": "-1.02", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "VERBASCOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833073", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04937319", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833073, "molecule_chembl_id": "CHEMBL2165615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.44", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04937319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830713", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APOCYNIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830713, "molecule_chembl_id": "CHEMBL346919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APOCYNIN (ACETOVANILLONE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833328", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833328, "molecule_chembl_id": "CHEMBL3307202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.28", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANS-2-UNDECENOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827824", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827824, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clofazimine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832592", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832592, "molecule_chembl_id": "CHEMBL1628691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.27", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-839977"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828233", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828233, "molecule_chembl_id": "CHEMBL1200389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.23", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Brimonidine L-tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835145", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILUDRONIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835145, "molecule_chembl_id": "CHEMBL1350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tiludronate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835147", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOPRONIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835147, "molecule_chembl_id": "CHEMBL1314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tiopronin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(S)C(=O)NCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827467", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827467, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836461", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836461, "molecule_chembl_id": "CHEMBL4303638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "fruquintinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1378", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836465", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAPAVERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836465, "molecule_chembl_id": "CHEMBL19224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.39", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Papaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835016", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835016, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831748", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831748, "molecule_chembl_id": "CHEMBL575122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TNP-470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832312", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832312, "molecule_chembl_id": "CHEMBL1448010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.83", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEFEXAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827400", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303829", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827400, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral mRNA (RdRp and N) in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836372", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOXACILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836372, "molecule_chembl_id": "CHEMBL891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOXACILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1888", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832182", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832182, "molecule_chembl_id": "CHEMBL1240885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.23", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-57380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827479", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALEPLON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827479, "molecule_chembl_id": "CHEMBL1521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zaleplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827481", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXEMESTANE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827481, "molecule_chembl_id": "CHEMBL1200374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Exemestane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.097", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831192, "molecule_chembl_id": "CHEMBL239767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.14", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-225002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836381", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIGUSTRAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836381, "molecule_chembl_id": "CHEMBL1939729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.66", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ligustrazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08486", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(C)nc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838934", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838934, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832010", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESTRANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832010, "molecule_chembl_id": "CHEMBL1201151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESTRANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838928", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M4", "pchembl_value": "5.40", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303776", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1821", "activity_id": 18838928, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3981.07", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "0.55", "sei": "34.37", "bei": "14.57", "le": "0.27"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831996", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NANDROLONE DECANOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831996, "molecule_chembl_id": "CHEMBL1200946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.66", "alogp": "7.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "NANDROLONE DECANOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832007", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832007, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NELARABINE (ARRANON)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831986", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTRIANISENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831986, "molecule_chembl_id": "CHEMBL1200761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHLOROTRIANISENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830368", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-242235", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830368, "molecule_chembl_id": "CHEMBL95692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 242235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836023", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836023, "molecule_chembl_id": "CHEMBL499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.43", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Timolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835324", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICOTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835324, "molecule_chembl_id": "CHEMBL2087361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.43", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Icotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835334", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835334, "molecule_chembl_id": "CHEMBL571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ketoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835643", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.168936343,0.069304257)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAVIPIRAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835643, "molecule_chembl_id": "CHEMBL221722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.10", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Favipiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1191", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(F)cnc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832965", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEXAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832965, "molecule_chembl_id": "CHEMBL2105922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEXAMIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828092", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXAPROZIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828092, "molecule_chembl_id": "CHEMBL1071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.32", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxaprozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2426", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832978", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTIOPRONIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832978, "molecule_chembl_id": "CHEMBL2106444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOPRONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](S)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833082, "molecule_chembl_id": "CHEMBL2177736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.45", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT062607 (P505-15, PRT2607, BIIB057) HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831801, "molecule_chembl_id": "CHEMBL604677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H2L-5765834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830772", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830772, "molecule_chembl_id": "CHEMBL369225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.52", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829830", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHRYSOPHANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829830, "molecule_chembl_id": "CHEMBL41092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHRYSOPHANIC ACID (CHRYSOPHANOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829828", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYSCION", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829828, "molecule_chembl_id": "CHEMBL42624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RHEOCHRYSIDIN (PHYSCIONE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834413", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CASPOFUNGIN ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834413, "molecule_chembl_id": "CHEMBL4297142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1213.43", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CASPOFUNGIN ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835404", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECAMYLAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835404, "molecule_chembl_id": "CHEMBL267936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.30", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)-Citalopram oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1041", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1(C)C2CCC(C2)C1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835603", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACUBITRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835603, "molecule_chembl_id": "CHEMBL3137301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.50", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sacubitril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829850", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829850, "molecule_chembl_id": "CHEMBL296908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.55", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FUSCOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834837", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALISPORIVIR", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834837, "molecule_chembl_id": "CHEMBL1651956", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1216.66", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "ALISPORIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830108", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOTHIAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830108, "molecule_chembl_id": "CHEMBL304902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.88", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOTHIAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838968", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838968, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.869", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834444", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834444, "molecule_chembl_id": "CHEMBL4303255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIKAMILONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCNC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834445, "molecule_chembl_id": "CHEMBL4303591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.91", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(2-CHLOROPHENYL)-2-({(2E)-2-[1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZINO}CARBOTHIOYL)HYDRAZINECARBOTHIOAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NNC(=S)NNC(=S)Nc1ccccc1Cl)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833700", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOCTAFENINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833700, "molecule_chembl_id": "CHEMBL2105075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLOCTAFENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830675", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMETHIXENE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830675, "molecule_chembl_id": "CHEMBL1523827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMETHIXENE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832756", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRIMILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832756, "molecule_chembl_id": "CHEMBL1922282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.26", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIRIMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831096", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831096, "molecule_chembl_id": "CHEMBL376103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@H](c1ccccc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DNQX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830694, "molecule_chembl_id": "CHEMBL155265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DNQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836402", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANOBINOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836402, "molecule_chembl_id": "CHEMBL483254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Panobinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831542", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831542, "molecule_chembl_id": "CHEMBL522502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.43", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QNZ (EVP4593)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836472", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETAPENTANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836472, "molecule_chembl_id": "CHEMBL73234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbapentane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836476", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOHEXOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836476, "molecule_chembl_id": "CHEMBL1200455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "821.14", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "iohexol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836477", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETRIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836477, "molecule_chembl_id": "CHEMBL38938", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.13", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimetridazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2713", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836482", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXETINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836482, "molecule_chembl_id": "CHEMBL490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.37", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Paroxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0967", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829220", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829220, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833224", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833224, "molecule_chembl_id": "CHEMBL3098745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.26", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AF38469"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833294", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833294, "molecule_chembl_id": "CHEMBL3237719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.57", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG 925"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834843", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LONAFARNIB", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834843, "molecule_chembl_id": "CHEMBL298734", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "638.83", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LONAFARNIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835213", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMETHIAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835213, "molecule_chembl_id": "CHEMBL315795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.66", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clomethiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1CCCl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830420", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NRX195183", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830420, "molecule_chembl_id": "CHEMBL107430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.87", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AGN 195183"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835005", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835005, "molecule_chembl_id": "CHEMBL920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "104.17", "alogp": "-0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Choline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830423", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOPROSTENOL SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830423, "molecule_chembl_id": "CHEMBL962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROSTAGLANDIN I2 SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\\CCCC(=O)[O-])C[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835093", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALMETEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835093, "molecule_chembl_id": "CHEMBL1263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salmeterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09671", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835009", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835009, "molecule_chembl_id": "CHEMBL8", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1255", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830577", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIDOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830577, "molecule_chembl_id": "CHEMBL451197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIDOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1cc(O)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831621", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMOLENIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831621, "molecule_chembl_id": "CHEMBL464982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.44", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "GAMMA-LINOLENIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835515", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTISALATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835515, "molecule_chembl_id": "CHEMBL1329203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "octisalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)COC(=O)c1ccccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836500", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GARENOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836500, "molecule_chembl_id": "CHEMBL215303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.42", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "garenoxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1309", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834438", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834438, "molecule_chembl_id": "CHEMBL4303557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WEHI-345 ANALOG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccc3C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836343", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836343, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methotrexate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1078", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831479", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMINERTANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831479, "molecule_chembl_id": "CHEMBL506981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.08", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "MECLINERTANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830222", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCILLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830222, "molecule_chembl_id": "CHEMBL80830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.32", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BUCILLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828475", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828475, "molecule_chembl_id": "CHEMBL1256179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.82", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alprenolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02886", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832704", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832704, "molecule_chembl_id": "CHEMBL1823147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BNC105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)c2c(C)oc3c(O)c(OC)ccc23)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828442", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOCONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828442, "molecule_chembl_id": "CHEMBL1200438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.72", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tioconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1271", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831141", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOCICEPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831141, "molecule_chembl_id": "CHEMBL396460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1809.07", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ORPHANIN-FQ; NOCICEPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835393", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIFEDIOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835393, "molecule_chembl_id": "CHEMBL1040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "calcifediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4579", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831204", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831204, "molecule_chembl_id": "CHEMBL249818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYLPHTHALIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H]1OC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834522", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834522, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azi"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835403", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPHEDRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835403, "molecule_chembl_id": "CHEMBL2146102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-Ephedrine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829848", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICLAMILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829848, "molecule_chembl_id": "CHEMBL42126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.26", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PICLAMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835168", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835168, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vemurafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834556, "molecule_chembl_id": "CHEMBL4303452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.65", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MAXACALCITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[2H]C([2H])([2H])C(O)(CCO[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C)C([2H])([2H])[2H]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835029", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLAPARIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835029, "molecule_chembl_id": "CHEMBL521686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olaparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835132", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBINAFINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835132, "molecule_chembl_id": "CHEMBL822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "terbinafine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829859", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829859, "molecule_chembl_id": "CHEMBL850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPARFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834934", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOSALICYLIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834934, "molecule_chembl_id": "CHEMBL1169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Aminosalicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1701", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834928", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPROSTENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834928, "molecule_chembl_id": "CHEMBL2220404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.92", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-cloprostenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC/C=C\\CC1C(O)CC(O)C1/C=C/C(O)COc1cccc(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835299", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835299, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gemfibrozil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834929", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834929, "molecule_chembl_id": "CHEMBL4303328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.63", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Dexoymannojirimycin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830436", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVASTATIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830436, "molecule_chembl_id": "CHEMBL690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.52", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAVASTATIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830442", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORSEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830442, "molecule_chembl_id": "CHEMBL1148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TORSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835151", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TODRALAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835151, "molecule_chembl_id": "CHEMBL1079787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "todralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1079", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1nncc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827898", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACLOPRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827898, "molecule_chembl_id": "CHEMBL8809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.24", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Raclopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832550", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-733", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832550, "molecule_chembl_id": "CHEMBL1615025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.23", "alogp": "1.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828645", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDAZAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828645, "molecule_chembl_id": "CHEMBL1089221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bendazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1nn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833352", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MLN-2480", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833352, "molecule_chembl_id": "CHEMBL3348923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.30", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833990", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECNIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833990, "molecule_chembl_id": "CHEMBL498847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SECNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828010", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILUTAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828010, "molecule_chembl_id": "CHEMBL1274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.22", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nilutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828658", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALETHAMATE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828658, "molecule_chembl_id": "CHEMBL2107687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.37", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Valethamate bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832638", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832638, "molecule_chembl_id": "CHEMBL1710950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.53", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829703", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829703, "molecule_chembl_id": "CHEMBL34730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.73", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-CHLOROMELATONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827977", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBENZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827977, "molecule_chembl_id": "CHEMBL1625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxybenzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829309", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOBENZOATE POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829309, "molecule_chembl_id": "CHEMBL1564391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.23", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "POTASSIUM P-AMINOBENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)[O-])cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827539", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WARFARIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827539, "molecule_chembl_id": "CHEMBL1464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.33", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Warfarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02382", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832194", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832194, "molecule_chembl_id": "CHEMBL1254945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.03", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ELN-441958"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827495", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENIPENTOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827495, "molecule_chembl_id": "CHEMBL2104321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.25", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenipentol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0004668", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836062", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALRUBICIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836062, "molecule_chembl_id": "CHEMBL1096885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "723.65", "alogp": "2.46", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "valrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836063", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836063, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valsartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827372", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.09", "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827372, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8060.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831513, "molecule_chembl_id": "CHEMBL506999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.67", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORG-12962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(N2CCNCC2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827308", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PERHEXILINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827308, "molecule_chembl_id": "CHEMBL75880", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Perhexiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838682", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": "Depositor Activity Comments:Inactive?? Curator Activity Comments: Potential Data Validity Issues", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APICIDIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838682, "molecule_chembl_id": "CHEMBL430060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.80", "alogp": "3.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Apicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "999684595.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827271", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ABEMACICLIB", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827271, "molecule_chembl_id": "CHEMBL3301610", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "506.61", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abemaciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.56", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827531", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827531, "molecule_chembl_id": "CHEMBL4303631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.61", "alogp": "-2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetraethylenepentamine pentahydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.Cl.Cl.NCCNCCNCCNCCN", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827448", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827448, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.94", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833089", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833089, "molecule_chembl_id": "CHEMBL2178953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833506", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAZARTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833506, "molecule_chembl_id": "CHEMBL3787344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NAZARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833512", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833512, "molecule_chembl_id": "CHEMBL3798846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.60", "alogp": "3.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OICR-9429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-30.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833505", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833505, "molecule_chembl_id": "CHEMBL3786184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.68", "alogp": "7.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MM-11253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)O)ccc5c4)SCCS3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828907", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828907, "molecule_chembl_id": "CHEMBL4303244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.89", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tinoridine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8505", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833803", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRACTOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833803, "molecule_chembl_id": "CHEMBL6995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRACTOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833906", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITIOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833906, "molecule_chembl_id": "CHEMBL2104457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.21", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CITIOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833710", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833710, "molecule_chembl_id": "CHEMBL493439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.57", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMETINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833811", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833811, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TENATOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839044", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839044, "molecule_chembl_id": "CHEMBL4303784", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "776.03", "alogp": "1.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ternatin 4 (DA3)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "173.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C=CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C(=O)C(C(C)CC)NC(=O)C(C(O)C(C)C)NC(=O)C2CCCCN2C(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828923", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEPRAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828923, "molecule_chembl_id": "CHEMBL1452696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.39", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Feprazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834309", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834309, "molecule_chembl_id": "CHEMBL4202825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.45", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-60-6583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829614", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829614, "molecule_chembl_id": "CHEMBL3187065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.73", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ELTOPRAZINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1cc2c(c(N3CCNCC3)c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833777", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833777, "molecule_chembl_id": "CHEMBL4303346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.62", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OPROZOMIB (ONX 0912)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829427", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RU-24969", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829427, "molecule_chembl_id": "CHEMBL18785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 24969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(C3=CCNCC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834328", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834328, "molecule_chembl_id": "CHEMBL4303593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.73", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVE 0991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(OC)c2C=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827669", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827669, "molecule_chembl_id": "CHEMBL1280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.07", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Verapamil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829144", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VITAMIN E", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829144, "molecule_chembl_id": "CHEMBL47", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.72", "alogp": "8.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VITAMIN-E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-38.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829234", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829234, "molecule_chembl_id": "CHEMBL542541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.64", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDRALAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832357", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832357, "molecule_chembl_id": "CHEMBL1411934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CENTAZOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nn1cnc2cc3ccccc3cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827656", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827656, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834228", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-0752", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834228, "molecule_chembl_id": "CHEMBL4205422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.91", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MK-0752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833549", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833549, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829533", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829533, "molecule_chembl_id": "CHEMBL279218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFM-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(c1ccc(N)cc1)=NNC(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834571", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834571, "molecule_chembl_id": "CHEMBL4303532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.51", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cccc(-c2ccccc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834371", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834371, "molecule_chembl_id": "CHEMBL4303671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.38", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLAMARGINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833955, "molecule_chembl_id": "CHEMBL443114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "868.07", "alogp": "0.81", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SOLAMARGINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CN8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829051", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-431542", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829051, "molecule_chembl_id": "CHEMBL440084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-431542"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834265", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834265, "molecule_chembl_id": "CHEMBL4303464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.41", "alogp": "-0.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHLORIZIN (PHLORIDZIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832348", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFESTOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832348, "molecule_chembl_id": "CHEMBL1407645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAFESTOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827880", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827880, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Melatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832937", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLHEXEDRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832937, "molecule_chembl_id": "CHEMBL2105275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.28", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPYLHEXEDRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836374", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXAMETHASONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836374, "molecule_chembl_id": "CHEMBL2021430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.41", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexamethasone-sodium-phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835880", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN ETEXILATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835880, "molecule_chembl_id": "CHEMBL539697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.75", "alogp": "5.60", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dabigatran etexilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.242", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)/N=C(\\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831701", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831701, "molecule_chembl_id": "CHEMBL561103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.62", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835882", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALBAVANCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835882, "molecule_chembl_id": "CHEMBL3301669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1816.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Dalbavancin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.334", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831017", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINDESINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831017, "molecule_chembl_id": "CHEMBL2105882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "852.02", "alogp": "2.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vindesine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830888", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830888, "molecule_chembl_id": "CHEMBL191958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.43", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GENZ-644282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835980", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACETAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835980, "molecule_chembl_id": "CHEMBL455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfacetamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831119", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831119, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALTRETAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831300, "molecule_chembl_id": "CHEMBL260563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEMADO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831747", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831747, "molecule_chembl_id": "CHEMBL576781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.68", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC0224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835986", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTIRELIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835986, "molecule_chembl_id": "CHEMBL2107016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "taltirelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831122", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARUNDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831122, "molecule_chembl_id": "CHEMBL446452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DIINDOLYLMETHANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835994", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835994, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "telaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836165", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACETAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836165, "molecule_chembl_id": "CHEMBL1584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.58", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piperacetazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831742", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BX-795", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831742, "molecule_chembl_id": "CHEMBL577784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.48", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BX-795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836507", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANFACINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836507, "molecule_chembl_id": "CHEMBL862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.10", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanfacine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1167", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838676", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838676, "molecule_chembl_id": "CHEMBL493076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.37", "alogp": "3.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832333", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832333, "molecule_chembl_id": "CHEMBL1397069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IOPROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827634", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADIPHENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827634, "molecule_chembl_id": "CHEMBL555654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.89", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adiphenine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827547", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITALOPRAM HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827547, "molecule_chembl_id": "CHEMBL1200781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.31", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Citalopram hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827550", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOTOIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827550, "molecule_chembl_id": "CHEMBL1095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethotoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04213", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831196", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831196, "molecule_chembl_id": "CHEMBL246078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-1485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827440", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827440, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole Vetranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.48", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838998", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838998, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81470.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827527", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KINETIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827527, "molecule_chembl_id": "CHEMBL228792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.22", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Furfurylaminopurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(CNc2ncnc3[nH]cnc23)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832232", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832232, "molecule_chembl_id": "CHEMBL2361572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.94", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIANEPTINE (SODIUM SALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(NCCCCCCC(=O)[O-])c2ccc(Cl)cc2S1(=O)=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832235", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AXITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832235, "molecule_chembl_id": "CHEMBL1289926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.48", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "33(a)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830899", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUS-131", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830899, "molecule_chembl_id": "CHEMBL198877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EQUOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832070", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEVELAMER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832070, "molecule_chembl_id": "CHEMBL1201798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.62", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SEVELAMER HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN.ClCC1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831583", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831583, "molecule_chembl_id": "CHEMBL489156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831592", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOVITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831592, "molecule_chembl_id": "CHEMBL522892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOVITINIB (TKI-258, CHIR-258)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836469", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXURIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836469, "molecule_chembl_id": "CHEMBL222280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.10", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-BrdU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827194", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.05", "bao_label": "organism-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827194, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hexachlorophene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "900.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827198", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.18", "bao_label": "organism-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827198, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6570.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836535", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIATRIZOIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836535, "molecule_chembl_id": "CHEMBL1201220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.92", "alogp": "3.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DIATRIZOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831968", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXANDROLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831968, "molecule_chembl_id": "CHEMBL1200436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXANDROLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827611", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827611, "molecule_chembl_id": "CHEMBL1200841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.78", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Procaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827615", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPROXEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827615, "molecule_chembl_id": "CHEMBL154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.26", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(S)-Naproxen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832323", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTIONAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832323, "molecule_chembl_id": "CHEMBL1378024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.28", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROTIONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836061", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836061, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valdecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836035", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTRAZURIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836035, "molecule_chembl_id": "CHEMBL2104931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.39", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toltrazuril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1675", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830958", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830958, "molecule_chembl_id": "CHEMBL205627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.52", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GKA-50"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836440", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACALCITOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836440, "molecule_chembl_id": "CHEMBL2105611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tacalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4469", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836443", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.166872349,0.103095281)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836443, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aztreonam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.135", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836384", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAXAGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836384, "molecule_chembl_id": "CHEMBL2103745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.43", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Saxagliptin hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836390", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOMETHEPTENE MUCATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836390, "molecule_chembl_id": "CHEMBL2355839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.65", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isometheptene-mucate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835315", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEPTAMINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835315, "molecule_chembl_id": "CHEMBL2111076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.25", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "heptaminol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)CCCC(C)(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827349", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GEMCITABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827349, "molecule_chembl_id": "CHEMBL1637", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "299.66", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23220.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827351", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827351, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30860.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830678", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830678, "molecule_chembl_id": "CHEMBL152028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPC-15199"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831138", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831138, "molecule_chembl_id": "CHEMBL394527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.89", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPI-688"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831098", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSALMID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831098, "molecule_chembl_id": "CHEMBL389507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "OSALMID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(O)cc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833193", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833193, "molecule_chembl_id": "CHEMBL2431212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.32", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LSN-2463359"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838974", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838974, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835480", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMINOX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835480, "molecule_chembl_id": "CHEMBL1276342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.59", "alogp": "-1.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "cefminox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1316", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835484", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTRIAXONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835484, "molecule_chembl_id": "CHEMBL161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.59", "alogp": "-1.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceftriaxone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830784", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PNU-282987", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830784, "molecule_chembl_id": "CHEMBL177611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.76", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-282987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830789", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830789, "molecule_chembl_id": "CHEMBL180672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.93", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPS-2143 (SB262470)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835502", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETROPIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835502, "molecule_chembl_id": "CHEMBL2110773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cimetropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834546", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834546, "molecule_chembl_id": "CHEMBL4303658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.33", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TA-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANCITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834552, "molecule_chembl_id": "CHEMBL1412614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.20", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOCYTIDINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834553", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834553, "molecule_chembl_id": "CHEMBL4303546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.85", "alogp": "4.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCR-1481B1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(Oc2ccc(NC(=O)c3cn(COP(=O)(O)O)cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829855", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829855, "molecule_chembl_id": "CHEMBL43383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.63", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AQ-RA741"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829856", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-METHYL-D-ASPARTIC ACID (NMDA)", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829856, "molecule_chembl_id": "CHEMBL291278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NMDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829712", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829712, "molecule_chembl_id": "CHEMBL286136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.80", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-10302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830793", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830793, "molecule_chembl_id": "CHEMBL3184847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.18", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXONIC ACID POTASSIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1nc(O)nc(O)n1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833240", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SACUBITRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833240, "molecule_chembl_id": "CHEMBL3137301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.50", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SACUBITRIL HEMICALCIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829738", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPHENIDATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829738, "molecule_chembl_id": "CHEMBL1722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.77", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPHENIDATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(c1ccccc1)C1CCCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828599", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828599, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "valproic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832412", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832412, "molecule_chembl_id": "CHEMBL1683636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.58", "alogp": "7.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NH125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831548", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831548, "molecule_chembl_id": "CHEMBL513136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.56", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCH-221510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832972", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FALECALCITRIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832972, "molecule_chembl_id": "CHEMBL2106158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.59", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FALECALCITRIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836437", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPIRIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836437, "molecule_chembl_id": "CHEMBL25", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aspirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836438", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOTROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836438, "molecule_chembl_id": "CHEMBL1578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.35", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Anisotropine methylbromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831558", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831558, "molecule_chembl_id": "CHEMBL483847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.32", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827332", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.15", "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827332, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7110.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834937", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-KETO DEHYDROEPIANDROSTERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834937, "molecule_chembl_id": "CHEMBL1875999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "7-keto-DHEA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08537", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(C(=O)C=C4C[C@@H](O)CC[C@@]43C)C1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830416", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPHAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830416, "molecule_chembl_id": "CHEMBL104560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORPROPHAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827540", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANOPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827540, "molecule_chembl_id": "CHEMBL367463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pranoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.005143", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827541", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECNIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827541, "molecule_chembl_id": "CHEMBL498847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Secnidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832247", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832247, "molecule_chembl_id": "CHEMBL1316726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIS-UROCANIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832298, "molecule_chembl_id": "CHEMBL1357932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-CARBOXY-3-HYDROXYPHENYLGLYCINE-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827597", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827597, "molecule_chembl_id": "CHEMBL30", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.35", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cimetidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N/CCSCc1nc[nH]c1C)NC#N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832303", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOQUINONIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832303, "molecule_chembl_id": "CHEMBL1358790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.80", "alogp": "4.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZOQUINONIUM-DIBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838870", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "AGONIST ASSAY INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838870, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Midostaurin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "506.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838712", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETAPENTANE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838712, "molecule_chembl_id": "CHEMBL73234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbapentane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836559", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.283662373,-0.016805852)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836559, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1334", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832185", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832185, "molecule_chembl_id": "CHEMBL1241028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.93", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832190", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETERMOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832190, "molecule_chembl_id": "CHEMBL1241951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.56", "alogp": "5.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LETERMOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827490", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBADOX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827490, "molecule_chembl_id": "CHEMBL13779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.23", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbadox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832197", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832197, "molecule_chembl_id": "CHEMBL1255781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.35", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-203186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832051", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPTORELIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832051, "molecule_chembl_id": "CHEMBL1201334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1311.47", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "TRIPTORELIN ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831943", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOPATADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831943, "molecule_chembl_id": "CHEMBL1719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.88", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLOPATADINE HYDROCHLORIDE (OPATANOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827241", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827241, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gilteritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37160.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827437", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827437, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.61", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827249", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827249, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Loperamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29260.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827250", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827250, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838906", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARITAL INHIBITION VIRAL INHIBITION GOES DOWN TO 50%", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838906, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "170.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831956", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLUIDINE BLUE O", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831956, "molecule_chembl_id": "CHEMBL562639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.83", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831957", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILANTEROL TRIFENATATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831957, "molecule_chembl_id": "CHEMBL1084172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "774.78", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILANTEROL (TRIFENATATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831962", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831962, "molecule_chembl_id": "CHEMBL1200359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827261", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PHENAZOPYRIDINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827261, "molecule_chembl_id": "CHEMBL1242", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenazopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831966", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROMETHAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831966, "molecule_chembl_id": "CHEMBL1200391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.14", "alogp": "-2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833381", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833381, "molecule_chembl_id": "CHEMBL3402762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.58", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TEPOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828905", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPHA-CYPERMETHRIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828905, "molecule_chembl_id": "CHEMBL373204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.30", "alogp": "6.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cypermethrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827668", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTAXIME SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827668, "molecule_chembl_id": "CHEMBL1010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "-0.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefotaxime sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829726", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILYBIN A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829726, "molecule_chembl_id": "CHEMBL431701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SILIBININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827889", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827889, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "Rifapentine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.705", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833336", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAVOLITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833336, "molecule_chembl_id": "CHEMBL3334567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.37", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SAVOLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835171", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBURNINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835171, "molecule_chembl_id": "CHEMBL1892145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "vinburnine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830427", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINEPTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830427, "molecule_chembl_id": "CHEMBL418995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINEPTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835426", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835426, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Adapalene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829213", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENZEPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829213, "molecule_chembl_id": "CHEMBL1531864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.33", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRENZEPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833916", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833916, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMISULPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832373", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832373, "molecule_chembl_id": "CHEMBL3989798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "840.92", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FORMOTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828526", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828526, "molecule_chembl_id": "CHEMBL1615585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.28", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cephalosporanic acid, 7-amino"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2431", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832381", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROBUTANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832381, "molecule_chembl_id": "CHEMBL1439973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.46", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROBUTANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833232", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833232, "molecule_chembl_id": "CHEMBL3115312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.65", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-42041935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834841", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834841, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "HOMOHARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836134", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836134, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mofezolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2188", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828602", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828602, "molecule_chembl_id": "CHEMBL4303179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Prasterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833314", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLCITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833314, "molecule_chembl_id": "CHEMBL3301606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SOLCITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832405, "molecule_chembl_id": "CHEMBL1454946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831273", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIQUIRTIGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831273, "molecule_chembl_id": "CHEMBL252642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIQUIRITIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835321", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYAMPHETAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835321, "molecule_chembl_id": "CHEMBL1546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hydroxyamphetamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828485", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828485, "molecule_chembl_id": "CHEMBL650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methylprednisolone, 6-alpha"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2127", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830696", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARSANILIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830696, "molecule_chembl_id": "CHEMBL351769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ARSANILIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834966", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOMOXETINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834966, "molecule_chembl_id": "CHEMBL641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Atomoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09173", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835211", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835211, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clofarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835089", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835089, "molecule_chembl_id": "CHEMBL291157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rosoxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1616", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830422", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830422, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EZETIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835130", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.158948553,0.077498702)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835130, "molecule_chembl_id": "CHEMBL483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.22", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tenofovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836489", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPROCAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836489, "molecule_chembl_id": "CHEMBL1179047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.76", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroprocaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836494", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXELADIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836494, "molecule_chembl_id": "CHEMBL1500276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.49", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxeladin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831703", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831703, "molecule_chembl_id": "CHEMBL562308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.57", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-10606120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCNCCO)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830815", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DRONEDARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830815, "molecule_chembl_id": "CHEMBL1201729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.23", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DRONEDARONE HCL (MULTAQ)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832024", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPAMIDE IODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832024, "molecule_chembl_id": "CHEMBL1200347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOPROPAMIDE IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832452", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOVERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832452, "molecule_chembl_id": "CHEMBL1512949", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.57", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FENOVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833348", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833348, "molecule_chembl_id": "CHEMBL3342553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.53", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 3000328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829289", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROQUAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829289, "molecule_chembl_id": "CHEMBL268501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROQUAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839025", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839025, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "281.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827816", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827816, "molecule_chembl_id": "CHEMBL1603534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bambuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834941", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECLOFENAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834941, "molecule_chembl_id": "CHEMBL93645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aceclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08079", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836429", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.058478675,-0.07122491)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-256066", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836429, "molecule_chembl_id": "CHEMBL570015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.60", "alogp": "3.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Efinaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836430", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACLIDINIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836430, "molecule_chembl_id": "CHEMBL1194325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.66", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aclidinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830244", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830244, "molecule_chembl_id": "CHEMBL3291084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.29", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-23597-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832527", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AROFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832527, "molecule_chembl_id": "CHEMBL1598450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.74", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-(4-CHLOROPHENYL)-1-PROPYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc[nH]c2n(-c2ccc(Cl)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828629", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828629, "molecule_chembl_id": "CHEMBL4303539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "604.11", "alogp": "1.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefcapene pivoxil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833333", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833333, "molecule_chembl_id": "CHEMBL3326831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.56", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NTRC-824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833897", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833897, "molecule_chembl_id": "CHEMBL2180273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.53", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ITD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833900", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROXICAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833900, "molecule_chembl_id": "CHEMBL527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIROXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829210", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETORICOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829210, "molecule_chembl_id": "CHEMBL416146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.85", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETORICOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOMEDIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833911, "molecule_chembl_id": "CHEMBL3707255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.25", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPOMEDIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC2(C)C(O)CC1CC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833913", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDELOXAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833913, "molecule_chembl_id": "CHEMBL2105022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDELOXAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=Cc2cccc(OCC3CNCCO3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835144", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILETAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835144, "molecule_chembl_id": "CHEMBL2110703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.34", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiletamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1(c2cccs2)CCCCC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835046", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENELZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835046, "molecule_chembl_id": "CHEMBL1089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenelzine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830340", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBINAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830340, "molecule_chembl_id": "CHEMBL413965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELBINAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830447", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-ROLIPRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830447, "molecule_chembl_id": "CHEMBL325795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROLIPRAM-S(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830448", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-ROLIPRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830448, "molecule_chembl_id": "CHEMBL325795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROLIPRAM-S(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835160", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMIPRAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835160, "molecule_chembl_id": "CHEMBL644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.44", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trimipramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08026", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830459", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830459, "molecule_chembl_id": "CHEMBL115097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.60", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PA-452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1cc2c(cc1N(C)c1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830756", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM OXYBATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830756, "molecule_chembl_id": "CHEMBL1200682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.09", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM OXYBATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCCO.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835463", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATENOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835463, "molecule_chembl_id": "CHEMBL24", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "atenolol-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2191", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835068", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROSTONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835068, "molecule_chembl_id": "CHEMBL548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prostaglandin E2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.143", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830252", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830252, "molecule_chembl_id": "CHEMBL85194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-200646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829837", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829837, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BOSUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827953", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827953, "molecule_chembl_id": "CHEMBL1367944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.57", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Prenylamine lactate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.CC(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827924", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827924, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfasalazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829993", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NERIDRONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829993, "molecule_chembl_id": "CHEMBL55214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.15", "alogp": "-0.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "NERIDRONATE SODIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834800", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "8.24 \u00b1 7.87", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834800, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8240.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833277", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPMATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833277, "molecule_chembl_id": "CHEMBL3188267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.43", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPMATINIB (INCB28060)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831480", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831480, "molecule_chembl_id": "CHEMBL508044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.99", "alogp": "4.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-NTR1-17"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835309", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCEROL MONOLAURATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835309, "molecule_chembl_id": "CHEMBL510533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glycerol-monolaurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1728", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830248", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLNAFTATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830248, "molecule_chembl_id": "CHEMBL83668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLNAFTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828515", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALIDIXATE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828515, "molecule_chembl_id": "CHEMBL1255939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.22", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nalidixic acid sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.007949", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835607", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835607, "molecule_chembl_id": "CHEMBL3039507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.95", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sotagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832679", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832679, "molecule_chembl_id": "CHEMBL1766779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VE-821"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830098", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL TYROSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830098, "molecule_chembl_id": "CHEMBL65543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ACETYL-TYROSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834703", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "3.1 \u00b1 1.25", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.51", "bao_label": "organism-based format", "molecule_pref_name": "ALISPORIVIR", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834703, "molecule_chembl_id": "CHEMBL1651956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1216.66", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "ALISPORIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830005", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830005, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRYPTOPHAN (L)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829819", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICLOPIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829819, "molecule_chembl_id": "CHEMBL1717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.25", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TICLOPIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832800", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANETIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832800, "molecule_chembl_id": "CHEMBL1993793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.40", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FANETIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828989", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.38", "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828989, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4170.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832962", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENURESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832962, "molecule_chembl_id": "CHEMBL2105796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.63", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENURESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNC(=O)c1ccc(Cl)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829109", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLRESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829109, "molecule_chembl_id": "CHEMBL436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828917", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828917, "molecule_chembl_id": "CHEMBL4303682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1160.22", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Angiotensin II (Human) Trifluoroacetic acid salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832472", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832472, "molecule_chembl_id": "CHEMBL1526024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.32", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FAROPENEM SODIUM HEMIPENTAHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832477", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXOFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832477, "molecule_chembl_id": "CHEMBL1527608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOXOFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830762", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830762, "molecule_chembl_id": "CHEMBL354261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccccc1O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830643", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830643, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ADAPALENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830624", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830624, "molecule_chembl_id": "CHEMBL140000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828266", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORDEFRIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828266, "molecule_chembl_id": "CHEMBL677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levonordefrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835796", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835796, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sertindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05774", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828200", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTHRON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828200, "molecule_chembl_id": "CHEMBL53418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1,8-Dihydroxyanthraquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836504", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL PALMITATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836504, "molecule_chembl_id": "CHEMBL1506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.55", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "chloramphenicol-palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836505", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERHEXILINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836505, "molecule_chembl_id": "CHEMBL75880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Perhexiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1976", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831739", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXRAZOXANE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831739, "molecule_chembl_id": "CHEMBL1200778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.73", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXRAZOXANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838927", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M3", "pchembl_value": "4.71", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303775", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL245", "activity_id": 18838927, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19498.45", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "-0.14", "sei": "29.98", "bei": "12.71", "le": "0.24"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831998", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOCORTOLONE PIVALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831998, "molecule_chembl_id": "CHEMBL1200975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOCORTOLONE-PIVALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831978", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMEXOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831978, "molecule_chembl_id": "CHEMBL1200617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.53", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIMEXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836328", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERCANIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836328, "molecule_chembl_id": "CHEMBL250270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "611.74", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "lercanidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827280", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827280, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832012", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDRYSONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832012, "molecule_chembl_id": "CHEMBL1201173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEDRYSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838936", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "WEAK ACTIVITY/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838936, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "241.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827456", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827456, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.23", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827285", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DROLOXIFENE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827285, "molecule_chembl_id": "CHEMBL487", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Droloxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827521", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827521, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nilvadipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4331", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832125", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832125, "molecule_chembl_id": "CHEMBL1230640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836566", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.624593085,0.581906835)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLITHROMYCIN", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836566, "molecule_chembl_id": "CHEMBL1232510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "845.02", "alogp": "4.60", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "solithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838889", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838889, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.926", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827431", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827431, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.78", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827434", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827434, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.61", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838735", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838735, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831507", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENIPOSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831507, "molecule_chembl_id": "CHEMBL462894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.37", "alogp": "-2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GENIPOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836385", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836385, "molecule_chembl_id": "CHEMBL1476337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.80", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trimetazidine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06907", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836388", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVASTATIN SODIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836388, "molecule_chembl_id": "CHEMBL2218894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.45", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluvastatin (sodium salt hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0921", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/C(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832202, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRFENIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832208", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832208, "molecule_chembl_id": "CHEMBL1256746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-13501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832210", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXONE BENZOYLHYDRAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832210, "molecule_chembl_id": "CHEMBL1256836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.52", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NALOXONE-BENZOYLHYDRAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832215", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LONIDAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832215, "molecule_chembl_id": "CHEMBL1257030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.16", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LONIDAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832218", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TECOVIRIMAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832218, "molecule_chembl_id": "CHEMBL1257073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TECOVIRIMAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831669", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831669, "molecule_chembl_id": "CHEMBL2074689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.00", "alogp": "5.21", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LY335979 (ZOSUQUIDAR TRIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831910", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASARALDEHYDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831910, "molecule_chembl_id": "CHEMBL1164301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASARALDEHYDE (ASARONALDEHYDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(OC)cc1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838765", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838765, "molecule_chembl_id": "CHEMBL4303786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.86", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Compound 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47863.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836544", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISRADIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836544, "molecule_chembl_id": "CHEMBL1648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isradipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832322", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832322, "molecule_chembl_id": "CHEMBL1375018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.37", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ER-27319 MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(=O)c3ccccc3n(CCCN)c2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836069", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOCICLIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836069, "molecule_chembl_id": "CHEMBL3545110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEE011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827377", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.95", "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827377, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11300.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835959", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOSUXIMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835959, "molecule_chembl_id": "CHEMBL696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.17", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ethosuximide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839010", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839010, "molecule_chembl_id": "CHEMBL222301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-PPCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831948", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831948, "molecule_chembl_id": "CHEMBL543382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROCARAMIPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833628", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833628, "molecule_chembl_id": "CHEMBL4303504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1435.24", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "NORVANCOMYCIN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](N)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828660", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828660, "molecule_chembl_id": "CHEMBL4303314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.66", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloramine-T hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)[N-]Cl)cc1.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828565", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828565, "molecule_chembl_id": "CHEMBL1201011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.99", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinapril hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828566", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828566, "molecule_chembl_id": "CHEMBL1256917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.31", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S,-) Eticlopride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833271", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833271, "molecule_chembl_id": "CHEMBL3186774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829001", "_score": 6.4231606, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829001, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833707", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE VALERATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833707, "molecule_chembl_id": "CHEMBL1200562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.58", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828911", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAFINAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828911, "molecule_chembl_id": "CHEMBL396778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Safinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833814", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833814, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERIFLUNOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833398", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RRX-001", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833398, "molecule_chembl_id": "CHEMBL3526802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.02", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-BROMO-1-(3,3-DINITROAZETIDIN-1-YL)ETHAN-1-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CBr)N1CC([N+](=O)[O-])([N+](=O)[O-])C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835897", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXRAZOXANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835897, "molecule_chembl_id": "CHEMBL1738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexrazoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831026", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELBIVUDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831026, "molecule_chembl_id": "CHEMBL374731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Telbivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831023", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACYCLOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831023, "molecule_chembl_id": "CHEMBL184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.21", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acyclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COCCO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829989", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARGLITAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829989, "molecule_chembl_id": "CHEMBL55624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DARGLITAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832805", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARICOTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832805, "molecule_chembl_id": "CHEMBL2000716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CARICOTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1C=CCC(C(N)=O)=C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834975", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFOTIAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834975, "molecule_chembl_id": "CHEMBL3183549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "benfotiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834402", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SRT-2104", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834402, "molecule_chembl_id": "CHEMBL4297436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.65", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "SRT2104 (GSK2245840)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830275", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830275, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOCLOBEMIDE (RO 111163)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTIRELIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832988, "molecule_chembl_id": "CHEMBL2107016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALTIRELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833427", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEMBOREXANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833427, "molecule_chembl_id": "CHEMBL3545367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.42", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEMBOREXANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833820", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBUTINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833820, "molecule_chembl_id": "CHEMBL1474889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOBUTINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834697", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.71 \u00b1 0.33", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.77", "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834697, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1710.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828707", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAPIDIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828707, "molecule_chembl_id": "CHEMBL132767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.26", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trapidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1cc(C)nc2ncnn12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833513, "molecule_chembl_id": "CHEMBL3808844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.56", "alogp": "6.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LDC1267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828830", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRILOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828830, "molecule_chembl_id": "CHEMBL1200586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prilocaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.005642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)C(=O)Nc1ccccc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828881", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESZOPICLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828881, "molecule_chembl_id": "CHEMBL1522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eszopiclone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828885", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFCILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828885, "molecule_chembl_id": "CHEMBL1568276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nafcillin sodium salt monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3633", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828892", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828892, "molecule_chembl_id": "CHEMBL4303258", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.71", "alogp": "-8.86", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Paromomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2932", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828895", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHICAGO SKY BLUE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828895, "molecule_chembl_id": "CHEMBL296966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "992.82", "alogp": "6.07", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "Chicago sky blue 6B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828897", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHANDROSTENOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828897, "molecule_chembl_id": "CHEMBL1418176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methandrostenolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828796", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPAMIDE IODIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828796, "molecule_chembl_id": "CHEMBL1200347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isopropamide iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.009585", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833503", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833503, "molecule_chembl_id": "CHEMBL3785909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.47", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-337"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834792", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "64.18 \u00b1 57.35", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834792, "molecule_chembl_id": "CHEMBL75232", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "464.91", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VATALANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64180.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833407", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1059615", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833407, "molecule_chembl_id": "CHEMBL3544966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.37", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK1059615"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834712", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5.96 \u00b1 0.57", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.22", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834712, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5960.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFOSTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830157, "molecule_chembl_id": "CHEMBL1006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.23", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMIFOSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCSP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830014", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830014, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYRAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828715", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828715, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834746", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.66 \u00b1 0.05", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CETYLPYRIDINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834746, "molecule_chembl_id": "CHEMBL2003538", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "358.01", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CETYLPYRIDINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "660.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838818", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M2", "pchembl_value": "5.29", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303774", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL211", "activity_id": 18838818, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5128.61", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.51", "sei": "10.93", "bei": "15.75", "le": "0.31"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832803", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832803, "molecule_chembl_id": "CHEMBL1996872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.44", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N-BIS(2-HYDROXYETHYL)DODECANAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)N(CCO)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827171", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.92", "bao_label": "organism-based format", "molecule_pref_name": "GSK-369796", "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827171, "molecule_chembl_id": "CHEMBL147806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "N-tert-Butylisoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1200.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827181", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.35", "bao_label": "organism-based format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827181, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cepharanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4470.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838835", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "PARTIAL ACTIVE CC50==IC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838835, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1; (+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "172.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832509", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832509, "molecule_chembl_id": "CHEMBL1568415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.36", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "10058-F4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C2/SC(=S)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832130", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1480", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832130, "molecule_chembl_id": "CHEMBL1231124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.77", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD-1480"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838731", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838731, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838738", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2b adrenergic receptor", "pchembl_value": "6.32", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303096", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1942", "activity_id": 18838738, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "478.63", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "1.22", "sei": "50.68", "bei": "18.38", "le": "0.36"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832432", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832432, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "105.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828677", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828677, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nepafenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04521", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831896", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831896, "molecule_chembl_id": "CHEMBL1086310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HC-030031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828284", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828284, "molecule_chembl_id": "CHEMBL4303300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.56", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ribostamycin sulfate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829110", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829110, "molecule_chembl_id": "CHEMBL437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827730", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRISEOFULVIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827730, "molecule_chembl_id": "CHEMBL562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.77", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GRISEOFULVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830023", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830023, "molecule_chembl_id": "CHEMBL56731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN-AG-494"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832528", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZASETRON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832528, "molecule_chembl_id": "CHEMBL1598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.82", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZASETRON HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834693", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.61 \u00b1 0.4", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.79", "bao_label": "organism-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834693, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Posaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1610.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827404", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303831", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827404, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of SARS-CoV-2 infection by time of addition assay, with 50uM hydroxychloroquine administered at -2hrs, 0 hrs and 2hrs post-infection", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832932, "molecule_chembl_id": "CHEMBL2105088", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827888", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827888, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Efavirenz"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833966", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833966, "molecule_chembl_id": "CHEMBL192254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NM107, 2'-C-METHYLCYTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(O)C(O)C(CO)OC1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832994", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTRIMAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832994, "molecule_chembl_id": "CHEMBL2107430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.38", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUTRIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833858", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833858, "molecule_chembl_id": "CHEMBL435582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.46", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-404187"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832290", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832290, "molecule_chembl_id": "CHEMBL1354398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORPHENADRINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834157, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-3-INHIBITOR-IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832293", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832293, "molecule_chembl_id": "CHEMBL1356346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.45", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH11110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(C[C@@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829469", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829469, "molecule_chembl_id": "CHEMBL20562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.17", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)S/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833944", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEHYDROCHOLATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833944, "molecule_chembl_id": "CHEMBL2106184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.51", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCHOLATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834678", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.59 \u00b1 0", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.23", "bao_label": "organism-based format", "molecule_pref_name": "ALVOCIDIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834678, "molecule_chembl_id": "CHEMBL2105698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ALVOCIDIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834776", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "10.71 \u00b1 7.39", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LONAFARNIB", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834776, "molecule_chembl_id": "CHEMBL298734", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "638.83", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LONAFARNIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10710.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829504", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+/-)NICOTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829504, "molecule_chembl_id": "CHEMBL440464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICOTINE BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829983", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOXURIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829983, "molecule_chembl_id": "CHEMBL917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLOXURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828126", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RONIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828126, "molecule_chembl_id": "CHEMBL290299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.15", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ronidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7786", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c([N+](=O)[O-])cnc1COC(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828492", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUROSEMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828492, "molecule_chembl_id": "CHEMBL35", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.75", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Furosemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1381", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828501", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELOXICAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828501, "molecule_chembl_id": "CHEMBL599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.41", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Meloxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833204", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAPIPRANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833204, "molecule_chembl_id": "CHEMBL3039498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.62", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GRAPIPRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832795", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPIROXOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832795, "molecule_chembl_id": "CHEMBL1985503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.13", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPIROXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1cccc(CO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828506", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBUCOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828506, "molecule_chembl_id": "CHEMBL608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.86", "alogp": "9.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PROBUCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833618", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833618, "molecule_chembl_id": "CHEMBL1319403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KAKONEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833385", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRESATOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833385, "molecule_chembl_id": "CHEMBL3410450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.07", "alogp": "2.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PRESATOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829623", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829623, "molecule_chembl_id": "CHEMBL1256844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.96", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-269970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833837", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833837, "molecule_chembl_id": "CHEMBL4303629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.45", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE PHOSPHATE TRIETHYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)COP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834327", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834327, "molecule_chembl_id": "CHEMBL492574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.58", "alogp": "-6.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "APRAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834329", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834329, "molecule_chembl_id": "CHEMBL4303240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.28", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AESCULIN (ESCULIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833236", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833236, "molecule_chembl_id": "CHEMBL3125890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.53", "alogp": "6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAK-632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828592", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBINAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828592, "molecule_chembl_id": "CHEMBL413965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felbinac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828839", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITODRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828839, "molecule_chembl_id": "CHEMBL1201160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.82", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ritodrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828539", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828539, "molecule_chembl_id": "CHEMBL3747636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1485.73", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Vancomycin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05858", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828840", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOTIFEN FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828840, "molecule_chembl_id": "CHEMBL1633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ketotifen fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829577", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETYL ALCOHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829577, "molecule_chembl_id": "CHEMBL706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.45", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1-HEXADECANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830943", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANOLAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830943, "molecule_chembl_id": "CHEMBL1526084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.47", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RANOLAZINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835635", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.381686923,0.208559235)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMECROLIMUS", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835635, "molecule_chembl_id": "CHEMBL1200686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "810.47", "alogp": "5.72", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Pimecrolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2951", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835637", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINAVERIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835637, "molecule_chembl_id": "CHEMBL1909324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.52", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "pinaverium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.008482", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835650", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835650, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fludarabine phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03797", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835718", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835718, "molecule_chembl_id": "CHEMBL399510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.25", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Bromopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05478", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827957", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827957, "molecule_chembl_id": "CHEMBL64391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Itraconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5215", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829002", "_score": 6.4231606, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829002, "molecule_chembl_id": "CHEMBL1200745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxprenolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835809", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENLAFAXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835809, "molecule_chembl_id": "CHEMBL637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Venlafaxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-13148", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833405, "molecule_chembl_id": "CHEMBL3544960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AT13148"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835766", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835766, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6828", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828027", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSODIOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828027, "molecule_chembl_id": "CHEMBL1551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Urosiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835668", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835668, "molecule_chembl_id": "CHEMBL54922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "115.13", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-proline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1CCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832879", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832879, "molecule_chembl_id": "CHEMBL2093113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.25", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "POMALIDOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832748", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832748, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835661", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835661, "molecule_chembl_id": "CHEMBL1763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.30", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hydroflumethiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1879", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832873", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832873, "molecule_chembl_id": "CHEMBL2086586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-568487 FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828921", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828921, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835750", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835750, "molecule_chembl_id": "CHEMBL1259058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSI-7976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2594", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830873", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830873, "molecule_chembl_id": "CHEMBL3962672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.00", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 0332991 (PALBOCICLIB) HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832860", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832860, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GRAZOPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828158", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPELENNAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828158, "molecule_chembl_id": "CHEMBL1200446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.83", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tripelennamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830966", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-705498", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830966, "molecule_chembl_id": "CHEMBL207433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.24", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SB705498"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828165", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELMISARTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828165, "molecule_chembl_id": "CHEMBL1017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.63", "alogp": "7.26", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Telmisartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827775", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827775, "molecule_chembl_id": "CHEMBL1892210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.47", "alogp": "-1.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oxytetracycline dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4029", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835534", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENOXINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835534, "molecule_chembl_id": "CHEMBL1200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxybuprocaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831765", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831765, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831687", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831687, "molecule_chembl_id": "CHEMBL508280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.38", "alogp": "2.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI-78D3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827942", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827942, "molecule_chembl_id": "CHEMBL554891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramisole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827948", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827948, "molecule_chembl_id": "CHEMBL817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolazamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833150", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833150, "molecule_chembl_id": "CHEMBL2363137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828057", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828057, "molecule_chembl_id": "CHEMBL1439043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flucloxacillin sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827755", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENDILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827755, "molecule_chembl_id": "CHEMBL1405922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.92", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Fendiline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833125", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-8033", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833125, "molecule_chembl_id": "CHEMBL2323775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.54", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "11r, MK-8033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834028", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834028, "molecule_chembl_id": "CHEMBL4303528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "727.80", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RG7112 (RO5045337)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829390", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829390, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK591 (FREE ACID)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828879", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHLORMETHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828879, "molecule_chembl_id": "CHEMBL1054", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trichlormethiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828930", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLBUTAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828930, "molecule_chembl_id": "CHEMBL101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYLBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1075", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834117", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834117, "molecule_chembl_id": "CHEMBL3039191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIGOXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)C6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)C6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828958", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPHYLLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828958, "molecule_chembl_id": "CHEMBL1370561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.43", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aminophylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1992", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834245", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834245, "molecule_chembl_id": "CHEMBL4303596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.41", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cc2nc1-c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834257", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834257, "molecule_chembl_id": "CHEMBL4303639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.93", "alogp": "7.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NEURODAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829557", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPURVALANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829557, "molecule_chembl_id": "CHEMBL286721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.92", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOPURVALANOL-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829413", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLERIXAFOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829413, "molecule_chembl_id": "CHEMBL18442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.80", "alogp": "0.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PLERIXAFOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834003", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMADACYCLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834003, "molecule_chembl_id": "CHEMBL1689772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.66", "alogp": "1.32", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "OMADACYCLINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827980", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESMOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827980, "molecule_chembl_id": "CHEMBL1201115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Esmolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828739", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFIBRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828739, "molecule_chembl_id": "CHEMBL565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.70", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832413", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEROSPIRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832413, "molecule_chembl_id": "CHEMBL1472975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEROSPIRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832414", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832414, "molecule_chembl_id": "CHEMBL1473849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.24", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-83566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833556", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833556, "molecule_chembl_id": "CHEMBL3990456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.49", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-477736"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c(=O)[nH]ncc2c34)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828617", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEXENONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828617, "molecule_chembl_id": "CHEMBL1898387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mexenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828771", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NETILMICIN SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828771, "molecule_chembl_id": "CHEMBL3989829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1441.57", "alogp": "-3.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Netilmicin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834298, "molecule_chembl_id": "CHEMBL4303434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.53", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-760735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827952", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827952, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9001", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829222", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829222, "molecule_chembl_id": "CHEMBL273862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.36", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "10-HYDROXYCAMPTOTHECIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828725", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828725, "molecule_chembl_id": "CHEMBL4303473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.81", "alogp": "6.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Verteporfin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)C1C(=O)OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833745", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCERYL MONOSTEARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833745, "molecule_chembl_id": "CHEMBL255696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.56", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONOSTEARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833115", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFODIZIME", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833115, "molecule_chembl_id": "CHEMBL2303613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.68", "alogp": "1.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFODIZIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829301", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUNITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829301, "molecule_chembl_id": "CHEMBL535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUNITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833861", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833861, "molecule_chembl_id": "CHEMBL1221601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.85", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833864", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEBRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833864, "molecule_chembl_id": "CHEMBL2104682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.27", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEBRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CC(=O)N(Cc2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829167", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAZOXIBEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829167, "molecule_chembl_id": "CHEMBL267473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAZOXIBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(OCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829171", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829171, "molecule_chembl_id": "CHEMBL1256917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.31", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETICLOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833874", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833874, "molecule_chembl_id": "CHEMBL271023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.27", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-106-9920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][S+](c1ccccc1)c1ccc2nnnn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829177", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPTOTHECIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829177, "molecule_chembl_id": "CHEMBL65", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMPTOTHECIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833876", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833876, "molecule_chembl_id": "CHEMBL4303243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.53", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEO-GILURYTMAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[N+]12C3C[C@H](C4C(O)[C@]5(C[C@@H]41)c1ccccc1N(C)[C@@H]35)[C@H](CC)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMUSTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834192, "molecule_chembl_id": "CHEMBL136737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.70", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NIMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834194", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMUSTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834194, "molecule_chembl_id": "CHEMBL12948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.73", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(NC(=O)N(CCCl)N=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829499", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOMOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829499, "molecule_chembl_id": "CHEMBL1702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ATOMOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829501", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829501, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMETHAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836142", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFRONYL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836142, "molecule_chembl_id": "CHEMBL1620794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.53", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nafronyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834775", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "41.53 \u00b1 32.45", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834775, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEXIDARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41530.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832776", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832776, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151787", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANIRESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151787, "molecule_chembl_id": "CHEMBL334830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.19", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ranirestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147520", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147520, "molecule_chembl_id": "CHEMBL4303684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK-5099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cn(-c2ccccc2)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147523", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147523, "molecule_chembl_id": "CHEMBL59834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIMU8 hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151792", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMEPIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151792, "molecule_chembl_id": "CHEMBL1308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FOMEPIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn[nH]c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152128", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152128, "molecule_chembl_id": "CHEMBL2103870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.41", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VX-809 (Lumacaftor)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146648", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146648, "molecule_chembl_id": "CHEMBL344159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolvaptan (OPC-41061)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151214", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOMETHEPTENE MUCATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151214, "molecule_chembl_id": "CHEMBL2355839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.65", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isometheptene-mucate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151956", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4'-AZIDOCYTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151956, "molecule_chembl_id": "CHEMBL393857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "-1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-1479"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147100", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147100, "molecule_chembl_id": "CHEMBL3939958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "795.04", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC3866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959987", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959987, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150583", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADODIAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150583, "molecule_chembl_id": "CHEMBL1200346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Gadodiamide Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147405, "molecule_chembl_id": "CHEMBL445420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-phenyl-1H-pyrazole-3-carboxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1cc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151911, "molecule_chembl_id": "CHEMBL1087641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.58", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genz-123346 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152178", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LURASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152178, "molecule_chembl_id": "CHEMBL1615372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.15", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lurasidone HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152180", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIZARTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152180, "molecule_chembl_id": "CHEMBL576982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.68", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "QUIZARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147679", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXEPAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147679, "molecule_chembl_id": "CHEMBL33211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isoxepac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152186", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152186, "molecule_chembl_id": "CHEMBL4303520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.25", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bromantan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152194", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152194, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLUOPERAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147691", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147691, "molecule_chembl_id": "CHEMBL68363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147693", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147693, "molecule_chembl_id": "CHEMBL258405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.30", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "icilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147694", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPANOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147694, "molecule_chembl_id": "CHEMBL867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.93", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IOPANIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147619", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147619, "molecule_chembl_id": "CHEMBL423707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-D-glucopyranose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150887", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150887, "molecule_chembl_id": "CHEMBL3092536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150938", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYOSCYAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150938, "molecule_chembl_id": "CHEMBL1331216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.37", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYOSCYAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146817", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUVACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146817, "molecule_chembl_id": "CHEMBL1256362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.60", "alogp": "-0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guvacine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148052", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFACTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148052, "molecule_chembl_id": "CHEMBL3137331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.50", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Defactinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146833", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146833, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146838", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146838, "molecule_chembl_id": "CHEMBL3633556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.35", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ferrostatin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152568", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152568, "molecule_chembl_id": "CHEMBL1214066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.70", "alogp": "2.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC0321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147799", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147799, "molecule_chembl_id": "CHEMBL163876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-benzyl-4-(4-methoxybenzyl)piperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146849", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICEID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146849, "molecule_chembl_id": "CHEMBL142652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.39", "alogp": "0.45", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Polydatin(Piceid)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147381", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147381, "molecule_chembl_id": "CHEMBL4303381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trelagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2cc(F)ccc2C#N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150950", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150950, "molecule_chembl_id": "CHEMBL278751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.44", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UH-232-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151885", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151885, "molecule_chembl_id": "CHEMBL262079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.45", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML017"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957613", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENISTEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957613, "molecule_chembl_id": "CHEMBL44", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GENISTEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957634", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-715", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957634, "molecule_chembl_id": "CHEMBL363648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.52", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TAK-715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151192, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "Rifapentin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146478", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146478, "molecule_chembl_id": "CHEMBL3186509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.33", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-8380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148174", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETROQUINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148174, "molecule_chembl_id": "CHEMBL1329029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.09", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETROQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C(O)C(=O)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148186", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARCOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148186, "molecule_chembl_id": "CHEMBL304383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "sarcosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148060", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148060, "molecule_chembl_id": "CHEMBL1349972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-323011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955569", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIBUTYRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955569, "molecule_chembl_id": "CHEMBL118722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Tributyrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955573", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955573, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960351", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERBERINE CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960351, "molecule_chembl_id": "CHEMBL12089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.82", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BERBERINE CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955585", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955585, "molecule_chembl_id": "CHEMBL367788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.14", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Didox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151479", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151479, "molecule_chembl_id": "CHEMBL1449747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.23", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mdivi-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-n2c(=S)[nH]c3ccccc3c2=O)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147286", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147286, "molecule_chembl_id": "CHEMBL179945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN 27219"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152038", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152038, "molecule_chembl_id": "CHEMBL375270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.68", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-9662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955559", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955559, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Orlipastat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960145", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960145, "molecule_chembl_id": "CHEMBL1236821", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.13", "alogp": "-2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xylose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2584702", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957334, "molecule_chembl_id": "CHEMBL3545076", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.42", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY-2584702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958869", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958869, "molecule_chembl_id": "CHEMBL4303549", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.47", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenofovir Alafenamide (GS-7340)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.692", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963667", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963667, "molecule_chembl_id": "CHEMBL2005186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.52", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLx-2119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.985", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959065", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOBUTINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959065, "molecule_chembl_id": "CHEMBL1474889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clobutinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960359", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960359, "molecule_chembl_id": "CHEMBL379156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-252424"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.417", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)o2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151493", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151493, "molecule_chembl_id": "CHEMBL259018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.32", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151798", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METIPRANOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151798, "molecule_chembl_id": "CHEMBL1291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metipranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956287", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956287, "molecule_chembl_id": "CHEMBL3289608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Calycosin 7-O-?-D-Glucoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960331", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOCREATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960331, "molecule_chembl_id": "CHEMBL179900", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.15", "alogp": "-1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclocreatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCCN1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154658", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VALSPODAR", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154658, "molecule_chembl_id": "CHEMBL1086218", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1214.65", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Valspodar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956704", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOMELOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956704, "molecule_chembl_id": "CHEMBL1078178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOMELOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153102", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICLOPIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153102, "molecule_chembl_id": "CHEMBL833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.79", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TICLOPIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154299", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154299, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib (HM781-36B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153129", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR DIPIVOXIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153129, "molecule_chembl_id": "CHEMBL922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.48", "alogp": "2.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Adefovir Dipivoxil (Preveon; Hepsera)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153133", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153133, "molecule_chembl_id": "CHEMBL4163879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.09", "alogp": "5.05", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149709", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149709, "molecule_chembl_id": "CHEMBL275854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-methylserotonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956552", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVOCERANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956552, "molecule_chembl_id": "CHEMBL3186534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961329", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAROTRECTINIB SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961329, "molecule_chembl_id": "CHEMBL3989939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "526.52", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Larotrectinib sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154323", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": "THALICARPINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154323, "molecule_chembl_id": "CHEMBL507100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "696.84", "alogp": "7.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thaliblastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149823", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM GUALENATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149823, "molecule_chembl_id": "CHEMBL1837010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sodium gualenate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149824", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149824, "molecule_chembl_id": "CHEMBL579212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.33", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-297696-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccccn3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148032", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASELISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148032, "molecule_chembl_id": "CHEMBL2387080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.54", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Taselisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149284", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149284, "molecule_chembl_id": "CHEMBL304253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tolonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148886, "molecule_chembl_id": "CHEMBL1255662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N20C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CNCCC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152985", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152985, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148480", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOCANLIDIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148480, "molecule_chembl_id": "CHEMBL128251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.40", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "omega-(4-Iodophenyl)pentadecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCCCCCCCc1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148382", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148382, "molecule_chembl_id": "CHEMBL1314022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.36", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1ccccc1)c1cc(NC)[n+](C)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153094", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BELINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153094, "molecule_chembl_id": "CHEMBL408513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.35", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Belinostat (PXD101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148589", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATN-161", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148589, "molecule_chembl_id": "CHEMBL4297456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "597.66", "alogp": "-4.81", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ATN-161 (trifluoroacetate salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150360", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150360, "molecule_chembl_id": "CHEMBL1316881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.32", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMB-808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964457", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SANGUINARIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964457, "molecule_chembl_id": "CHEMBL490129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANGUINARIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964458", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE HEMISULFATE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964458, "molecule_chembl_id": "CHEMBL465704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.58", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROFLAVINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148911, "molecule_chembl_id": "CHEMBL327783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPCCOEt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C12CC1/C(=N\\O)c1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964467", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964467, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147062", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL SALICYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147062, "molecule_chembl_id": "CHEMBL108545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methyl-salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151622", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151622, "molecule_chembl_id": "CHEMBL1209431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN-238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151733", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151733, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Empagliflozin (BI10773)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151635", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151635, "molecule_chembl_id": "CHEMBL276140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.37", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-221284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957306", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957306, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961904", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PILARALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961904, "molecule_chembl_id": "CHEMBL3360203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "541.03", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pilaralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-48.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957312", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENYLENEIODONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957312, "molecule_chembl_id": "CHEMBL365739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHENYLENEIODONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)[I+]c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957315", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KETOROLAC TROMETHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957315, "molecule_chembl_id": "CHEMBL1201124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOROLAC TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961914", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961914, "molecule_chembl_id": "CHEMBL486226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-707035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.539", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151517", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151517, "molecule_chembl_id": "CHEMBL597997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.52", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2894"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147242", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOTOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147242, "molecule_chembl_id": "CHEMBL1095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethotoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147558", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147558, "molecule_chembl_id": "CHEMBL39878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.59", "alogp": "7.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-404"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956705", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOZAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956705, "molecule_chembl_id": "CHEMBL42", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957248", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOTOLIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957248, "molecule_chembl_id": "CHEMBL3301618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.61", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MOTOLIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147606", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147606, "molecule_chembl_id": "CHEMBL3039358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.45", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Andrographolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CCC2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147164", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAUROCHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147164, "molecule_chembl_id": "CHEMBL224867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.71", "alogp": "2.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Taurocholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151668", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLIBANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151668, "molecule_chembl_id": "CHEMBL231068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flibanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151256", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PATUPILONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151256, "molecule_chembl_id": "CHEMBL94657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.69", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "(-)-Epothilone B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146547", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARZENIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146547, "molecule_chembl_id": "CHEMBL414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.20", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARZENIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146760", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(-)-ROLIPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146760, "molecule_chembl_id": "CHEMBL430893", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rolipram-R(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146040", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146040, "molecule_chembl_id": "CHEMBL66879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naringeninic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151382", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151382, "molecule_chembl_id": "CHEMBL3417395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.48", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAM7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152451", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOPLATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152451, "molecule_chembl_id": "CHEMBL1351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "carboplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150649", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAMGO", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150649, "molecule_chembl_id": "CHEMBL38874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "-0.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DAMGO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146150", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIROFIBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146150, "molecule_chembl_id": "CHEMBL916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.61", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tirofiban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150441", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150441, "molecule_chembl_id": "CHEMBL4567874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.44", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID54749203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[2H]C([2H])([2H])c1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146347", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146347, "molecule_chembl_id": "CHEMBL266591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methyl-5-hydroxytryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(O)cc2c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151195", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151195, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AZITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152130", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIOTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152130, "molecule_chembl_id": "CHEMBL857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.32", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "biotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147626", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147626, "molecule_chembl_id": "CHEMBL4550602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.65", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SOLASODINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@H]1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151516", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-ISRADIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151516, "molecule_chembl_id": "CHEMBL399539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isradipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146730", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146730, "molecule_chembl_id": "CHEMBL3039470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.66", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TENIPOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)OC5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147370", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBICAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147370, "molecule_chembl_id": "CHEMBL3707390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mebicar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(C)C2C1N(C)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151931", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151931, "molecule_chembl_id": "CHEMBL37081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-TEDC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCCc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152559", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-7762", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152559, "molecule_chembl_id": "CHEMBL2041933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD7762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151343", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESNA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151343, "molecule_chembl_id": "CHEMBL975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002548937"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCS.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146840", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HARMAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146840, "molecule_chembl_id": "CHEMBL12014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.23", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "harmane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccc2c1[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151354", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLISTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151354, "molecule_chembl_id": "CHEMBL499783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1155.45", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "Colistin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152185", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152185, "molecule_chembl_id": "CHEMBL4227505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.49", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BLZ945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152193", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152193, "molecule_chembl_id": "CHEMBL226335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.52", "alogp": "-1.69", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "RUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955505", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRULIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955505, "molecule_chembl_id": "CHEMBL422648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Prulifloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955873", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-1292263", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955873, "molecule_chembl_id": "CHEMBL3187503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK1292263"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148075", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148075, "molecule_chembl_id": "CHEMBL1332716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "RIFAMPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152308", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3,5-DINITROCATECHOL (OR-486)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152308, "molecule_chembl_id": "CHEMBL168276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.11", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OR-486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960048", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960048, "molecule_chembl_id": "CHEMBL474991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.63", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-207024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960705", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EBROTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960705, "molecule_chembl_id": "CHEMBL1742471", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ebrotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.907", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960707", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960707, "molecule_chembl_id": "CHEMBL3105156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956515", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956515, "molecule_chembl_id": "CHEMBL3093392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.34", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XEN445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ccccn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956326", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CICHORIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956326, "molecule_chembl_id": "CHEMBL282731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.37", "alogp": "1.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CICHORIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964404", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964404, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959439", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959439, "molecule_chembl_id": "CHEMBL4303680", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Obeticholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.794", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1C(O)C2C3CCC(C(C)CCC(=O)O)C3(C)CCC2C2(C)CCC(O)CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENOSINE TRIPHOSPHATE DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959445, "molecule_chembl_id": "CHEMBL2106579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "551.15", "alogp": "-1.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ADENOSINE TRIPHOSPHATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964061", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964061, "molecule_chembl_id": "CHEMBL3237719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.57", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG 925"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.105", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963847", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963847, "molecule_chembl_id": "CHEMBL3215749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.48", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-13069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.963", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960777", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETEBENECID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960777, "molecule_chembl_id": "CHEMBL1705586", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.31", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETEBENECID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.847", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEFARNATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959801, "molecule_chembl_id": "CHEMBL2105085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "8.42", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Geranyl-farnesylacetate; Gefarnate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.803", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\\C)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964410", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964410, "molecule_chembl_id": "CHEMBL4303154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.52", "alogp": "-0.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Oleuropein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960660", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XYLAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960660, "molecule_chembl_id": "CHEMBL297362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XYLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC1=NCCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955626", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955626, "molecule_chembl_id": "CHEMBL4573312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.56", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isofloxythepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955941", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOBUFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955941, "molecule_chembl_id": "CHEMBL1765292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.34", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Indobufen\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955793", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955793, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinine hemisulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963929", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOMETHACIN MORPHOLINYLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963929, "molecule_chembl_id": "CHEMBL72631", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.90", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961104", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1-PHENYLBIGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961104, "molecule_chembl_id": "CHEMBL3039205", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.67", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-phenylbiguanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960727", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SP-420", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960727, "molecule_chembl_id": "CHEMBL1092665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SP-420"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963848", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCINAPLON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963848, "molecule_chembl_id": "CHEMBL2105199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.31", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ocinaplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959459", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMEXON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959459, "molecule_chembl_id": "CHEMBL146428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "111.10", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IMEXON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1NC(=O)N2CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959248", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLAMOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959248, "molecule_chembl_id": "CHEMBL418192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tolamolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960039", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SARAFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960039, "molecule_chembl_id": "CHEMBL542157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.83", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SARAFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.637", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835952", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN ETHYLSUCCINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835952, "molecule_chembl_id": "CHEMBL1200688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "862.06", "alogp": "2.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "erythromycin-ethylsuccinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2512", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960086", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MERIMEPODIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960086, "molecule_chembl_id": "CHEMBL304087", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.47", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Merimepodib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960088", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960088, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.696", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956118", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIROFIBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956118, "molecule_chembl_id": "CHEMBL916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.61", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tirofiban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146283", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146283, "molecule_chembl_id": "CHEMBL125582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "boronophenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153491", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153491, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "RAF265 (CHIR-265)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147825", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147825, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARIPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150382", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERINURAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150382, "molecule_chembl_id": "CHEMBL3707347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Verinurad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152449", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152449, "molecule_chembl_id": "CHEMBL153238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.61", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD095802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152702", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152702, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORDIHYDROGUAIARETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152714", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANIDIPINE 6300", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152714, "molecule_chembl_id": "CHEMBL1085699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "MANIDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148354", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148354, "molecule_chembl_id": "CHEMBL2104122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cicloprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148355", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148355, "molecule_chembl_id": "CHEMBL1398351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.48", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Gabexate (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148220", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESVERATROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148220, "molecule_chembl_id": "CHEMBL165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150121", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150121, "molecule_chembl_id": "CHEMBL39221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;5-DHPG-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146288", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXFOSFOSERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146288, "molecule_chembl_id": "CHEMBL284377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.07", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-Phospho-L-Serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](COP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150792", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150792, "molecule_chembl_id": "CHEMBL3621955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146297", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMERAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146297, "molecule_chembl_id": "CHEMBL438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.31", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958891", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958891, "molecule_chembl_id": "CHEMBL1370630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.50", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "110.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146588", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLHEXEDRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146588, "molecule_chembl_id": "CHEMBL2105275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.28", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propylhexedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962583", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEFITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962583, "molecule_chembl_id": "CHEMBL939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gefitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957987", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957987, "molecule_chembl_id": "CHEMBL64404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.30", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Methoxyphenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962589", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962589, "molecule_chembl_id": "CHEMBL1332361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148913", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148913, "molecule_chembl_id": "CHEMBL3185084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCRALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153632", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153632, "molecule_chembl_id": "CHEMBL3608703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.74", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-614448"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2ncnc3sccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149246", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVATANEPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149246, "molecule_chembl_id": "CHEMBL563646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Evatanepag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153206", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153206, "molecule_chembl_id": "CHEMBL3786343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.60", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olmutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148823", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148823, "molecule_chembl_id": "CHEMBL192359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.83", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-7954-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960247", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960247, "molecule_chembl_id": "CHEMBL541543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.99", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-37883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(/N=C(\\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961397", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIROFIBAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961397, "molecule_chembl_id": "CHEMBL3189072", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.08", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tirofiban_HCL monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148684", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEREPHTHALIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148684, "molecule_chembl_id": "CHEMBL1374420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.13", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEREPHTHALIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955682", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMORFAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955682, "molecule_chembl_id": "CHEMBL2103954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emorfazone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c(N2CCOCC2)cnn(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956237", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956237, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956238", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956238, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETR, TMC125; 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959237", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XAMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959237, "molecule_chembl_id": "CHEMBL2104466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.46", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xamoterol fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956248", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956248, "molecule_chembl_id": "CHEMBL1977874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.30", "alogp": "-0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-484954"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153689", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FALNIDAMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153689, "molecule_chembl_id": "CHEMBL258940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.85", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BIBX-1382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149072", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149072, "molecule_chembl_id": "CHEMBL3426805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.32", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MC1568"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153585", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153585, "molecule_chembl_id": "CHEMBL4553284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.69", "alogp": "5.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HG-9-91-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153977", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153977, "molecule_chembl_id": "CHEMBL513147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN193189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149476", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOE-EMODIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149476, "molecule_chembl_id": "CHEMBL40275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloe-emodin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149513, "molecule_chembl_id": "CHEMBL4303212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.95", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "LITHIUM CITRATE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li].[Li].[Li]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958485", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958485, "molecule_chembl_id": "CHEMBL338117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.52", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 11645373"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CSC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959094", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959094, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMETHAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959164", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959164, "molecule_chembl_id": "CHEMBL1473849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.24", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-83566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963769", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963769, "molecule_chembl_id": "CHEMBL1200492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.48", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.097", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963705", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALFURAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963705, "molecule_chembl_id": "CHEMBL490665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.03", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nalfurafine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154022", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154022, "molecule_chembl_id": "CHEMBL367625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.90", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-74514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963871", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERFLUBRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963871, "molecule_chembl_id": "CHEMBL1200866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.96", "alogp": "6.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1-Bromoperfluorooctane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959272", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959272, "molecule_chembl_id": "CHEMBL3289391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPENZOLATE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963778", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KRN-633", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963778, "molecule_chembl_id": "CHEMBL406381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KRN 633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963780", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SINEFUNGIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963780, "molecule_chembl_id": "CHEMBL1214186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.39", "alogp": "-2.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sinefungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963968", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963968, "molecule_chembl_id": "CHEMBL3105836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955588", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955588, "molecule_chembl_id": "CHEMBL766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilastatin sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960371", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIDOLGOSIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960371, "molecule_chembl_id": "CHEMBL371197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Swainsonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H]1[C@H](O)CN2CCC[C@@H](O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960377", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960377, "molecule_chembl_id": "CHEMBL2424812", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.38", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-E-5002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCN(O)C(=O)CCCCCCCCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955604", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955604, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rilpivirine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960432", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FORODESINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960432, "molecule_chembl_id": "CHEMBL550755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.72", "alogp": "-2.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Forodesine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955661", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITISINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955661, "molecule_chembl_id": "CHEMBL1337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitisinone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960441", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-0893", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960441, "molecule_chembl_id": "CHEMBL1933349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.49", "alogp": "7.50", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "MK 0893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956529", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VIDOFLUDIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956529, "molecule_chembl_id": "CHEMBL197194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vidofludimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961632", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENISTEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961632, "molecule_chembl_id": "CHEMBL44", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GENISTEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956622", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956622, "molecule_chembl_id": "CHEMBL262103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.47", "alogp": "-0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CA-074 methyl ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961113", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEMIROLAST POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961113, "molecule_chembl_id": "CHEMBL1201050", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.31", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pemirolast (potassium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.072", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957463", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957463, "molecule_chembl_id": "CHEMBL578988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.18", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(1R,2S)-VU0155041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957798", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCORTISONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957798, "molecule_chembl_id": "CHEMBL389621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963271", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963271, "molecule_chembl_id": "CHEMBL313737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.37", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CY208-243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146309", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISODAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146309, "molecule_chembl_id": "CHEMBL2165224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "6-Hydroxyhyoscyamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152877", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-8245", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152877, "molecule_chembl_id": "CHEMBL1938870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.26", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146312", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RICOLINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146312, "molecule_chembl_id": "CHEMBL2364628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ACY-1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150756", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150756, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifaximin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153459", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153459, "molecule_chembl_id": "CHEMBL3105156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962072", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALTINICLINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962072, "molecule_chembl_id": "CHEMBL2146093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.33", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "altinicline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957687", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERLOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957687, "molecule_chembl_id": "CHEMBL553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERLOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152891", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIMERACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152891, "molecule_chembl_id": "CHEMBL1730601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gimeracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145607", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLURBIPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145607, "molecule_chembl_id": "CHEMBL563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLURBIPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962087", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTYLATED HYDROXYTOLUENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962087, "molecule_chembl_id": "CHEMBL146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.36", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BUTYLATED HYDROXYTOLUENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149630", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149630, "molecule_chembl_id": "CHEMBL222280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.10", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bromodeoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148961", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148961, "molecule_chembl_id": "CHEMBL522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "107.16", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149570", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXFOSFOSERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149570, "molecule_chembl_id": "CHEMBL284377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.07", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXFOSFOSERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](COP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153466", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153466, "molecule_chembl_id": "CHEMBL3397300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.03", "alogp": "5.40", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AP26113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148386", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148386, "molecule_chembl_id": "CHEMBL4068554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.50", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL70"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153474", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153474, "molecule_chembl_id": "CHEMBL4303491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.87", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJ-172550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148389", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISOFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148389, "molecule_chembl_id": "CHEMBL1411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(\u00c2\u00b1)-Lisofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148104", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148104, "molecule_chembl_id": "CHEMBL266347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.65", "alogp": "-8.90", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "framycetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148445, "molecule_chembl_id": "CHEMBL2447914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "7.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "K-85"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152957", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152957, "molecule_chembl_id": "CHEMBL2152944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.43", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152623", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152623, "molecule_chembl_id": "CHEMBL3577124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.52", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY3009120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961240", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOEXIPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961240, "molecule_chembl_id": "CHEMBL1200534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "535.04", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moexipril Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961321", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961321, "molecule_chembl_id": "CHEMBL2135566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.29", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Picrotoxinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961322", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OC000459", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961322, "molecule_chembl_id": "CHEMBL560993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OC000459"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2081", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961379", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIROMIDIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961379, "molecule_chembl_id": "CHEMBL311350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIROMIDIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960850", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960850, "molecule_chembl_id": "CHEMBL4116008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cerdulatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.007", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956076", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCAPERIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956076, "molecule_chembl_id": "CHEMBL2104619", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ocaperidone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(C)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956079", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956079, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifaximin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956082, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Lixivaptan\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960858", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960858, "molecule_chembl_id": "CHEMBL4303304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.40", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Licochalcone A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956088", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956088, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960864", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960864, "molecule_chembl_id": "CHEMBL4303267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NNc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956090", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLAZURIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956090, "molecule_chembl_id": "CHEMBL284733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.64", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diclazuril\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956438", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956438, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961134", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-208", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961134, "molecule_chembl_id": "CHEMBL496102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.41", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMG-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956107", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956107, "molecule_chembl_id": "CHEMBL2058533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TUG-891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960884", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANITIOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960884, "molecule_chembl_id": "CHEMBL1380480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANITIOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956110", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956110, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IBUDILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956214", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956214, "molecule_chembl_id": "CHEMBL4574601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "3.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PI3K??IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)cc(F)cc23)cc1NS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956364", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAZERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956364, "molecule_chembl_id": "CHEMBL4558324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.66", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Lazertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961451", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961451, "molecule_chembl_id": "CHEMBL3185434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.537", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956477", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956477, "molecule_chembl_id": "CHEMBL1201139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEGESTROL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961453", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961453, "molecule_chembl_id": "CHEMBL290487", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.70", "alogp": "-0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clomesone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CS(=O)(=O)OCCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961385", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961385, "molecule_chembl_id": "CHEMBL1600943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.76", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961395", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961395, "molecule_chembl_id": "CHEMBL2367812", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.54", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW311616"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960084", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960084, "molecule_chembl_id": "CHEMBL4303724", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.25", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC[N+]12CN3CN(CN(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959785", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAFFEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959785, "molecule_chembl_id": "CHEMBL113", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAFFEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964394", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964394, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961292", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961292, "molecule_chembl_id": "CHEMBL3991934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.54", "alogp": "4.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ACTB-1003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn2c1CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961582", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961582, "molecule_chembl_id": "CHEMBL1448044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.45", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOLAMINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956325", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956325, "molecule_chembl_id": "CHEMBL3793424", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "658.83", "alogp": "7.59", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-1331852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961108", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLVANIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961108, "molecule_chembl_id": "CHEMBL76903", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.63", "alogp": "7.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "olvanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961599", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIBAMPATOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961599, "molecule_chembl_id": "CHEMBL1277001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.62", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mibampator"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960897", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-733", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960897, "molecule_chembl_id": "CHEMBL1615025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.23", "alogp": "1.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.707", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961202", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961202, "molecule_chembl_id": "CHEMBL4303213", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.44", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methylnaltrexone (Bromide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960908", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW842166X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960908, "molecule_chembl_id": "CHEMBL225411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.26", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW-842166X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.458", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961290", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPIRAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961290, "molecule_chembl_id": "CHEMBL453514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "843.06", "alogp": "2.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.778", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961291", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MITOFLAXONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961291, "molecule_chembl_id": "CHEMBL443793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.28", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(4-oxo-2-phenyl-4H-chromen-8-yl)acetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960918", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960918, "molecule_chembl_id": "CHEMBL140220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-64131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964117", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPIVASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964117, "molecule_chembl_id": "CHEMBL2325741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.92", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZD5363"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.834", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955647", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955647, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clevidipine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955968", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955968, "molecule_chembl_id": "CHEMBL1429218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pibenzimol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960696", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIOXYBENZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960696, "molecule_chembl_id": "CHEMBL1326877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIOXYBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.352", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960055", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NCX-4016", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960055, "molecule_chembl_id": "CHEMBL374385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.28", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NO-ASA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960063", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960063, "molecule_chembl_id": "CHEMBL4303552", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "117.11", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitrosodimethylurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)N(C)N=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960066", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960066, "molecule_chembl_id": "CHEMBL1529009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.69", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "zolantidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O.c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956120", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956120, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amsacrine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956136", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFIMOXIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956136, "molecule_chembl_id": "CHEMBL489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "AFIMOXIFENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961050", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHENAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961050, "molecule_chembl_id": "CHEMBL1201270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "140.19", "alogp": "-1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methenamine (Mandelamine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1N2CN3CN1CN(C2)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961057", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEMASTINE FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961057, "molecule_chembl_id": "CHEMBL1200795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.97", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147124", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147124, "molecule_chembl_id": "CHEMBL3138633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.56", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ribostamycin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146766", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146766, "molecule_chembl_id": "CHEMBL3085150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.86", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ici-215001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146066", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146066, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146576", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVANIMIBE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146576, "molecule_chembl_id": "CHEMBL46423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.63", "alogp": "6.63", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ATR-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152479", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152479, "molecule_chembl_id": "CHEMBL2315267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.80", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD061433"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146077", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERSIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146077, "molecule_chembl_id": "CHEMBL571987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.36", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LERSIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152484", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152484, "molecule_chembl_id": "CHEMBL3326251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.13", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2025 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152487", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152487, "molecule_chembl_id": "CHEMBL1190711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.40", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY 61-3606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147984", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147984, "molecule_chembl_id": "CHEMBL3338865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-3697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152494", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIDANOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152494, "molecule_chembl_id": "CHEMBL1460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Didanosine (Videx)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152496", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152496, "molecule_chembl_id": "CHEMBL3402762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.58", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tepotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152351", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152351, "molecule_chembl_id": "CHEMBL1236315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.09", "alogp": "-2.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TARTARIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959975", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959975, "molecule_chembl_id": "CHEMBL81099", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.32", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-616U"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.701", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959983", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959983, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CINNARAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147630", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147630, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRANILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152138", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152138, "molecule_chembl_id": "CHEMBL1435687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.68", "alogp": "7.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "dihydrotachysterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(O)C/C1=C\\C=C1/CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147719", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARSANILIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147719, "molecule_chembl_id": "CHEMBL351769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ARSANILIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152230", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETERMOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152230, "molecule_chembl_id": "CHEMBL1241951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.56", "alogp": "5.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Letermovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147726", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2X-121", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147726, "molecule_chembl_id": "CHEMBL3644587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.35", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "E7449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147646", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147646, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958630", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958630, "molecule_chembl_id": "CHEMBL4303480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.71", "alogp": "2.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Lappaconite Hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152155", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152155, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147650", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELETRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147650, "molecule_chembl_id": "CHEMBL1510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.53", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eletriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963233", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLMESARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963233, "molecule_chembl_id": "CHEMBL1200692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.60", "alogp": "4.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "OLMESARTAN MEDOXOMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147651", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147651, "molecule_chembl_id": "CHEMBL3823478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-7273"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147656", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMMEPIP", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147656, "molecule_chembl_id": "CHEMBL18661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "immepip"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc(CC2CCNCC2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958641", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958641, "molecule_chembl_id": "CHEMBL134350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.72", "alogp": "5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FUSIDIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)C3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962866", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENINDIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962866, "molecule_chembl_id": "CHEMBL711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956852", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956852, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956845", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956845, "molecule_chembl_id": "CHEMBL19236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.68", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956956", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTAGASTRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956956, "molecule_chembl_id": "CHEMBL1328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "767.91", "alogp": "1.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PENTAGASTRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959934", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959934, "molecule_chembl_id": "CHEMBL1331443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;4-DCPG-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147058", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147058, "molecule_chembl_id": "CHEMBL1200648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.69", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROCURONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151570", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANDOLAPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151570, "molecule_chembl_id": "CHEMBL1519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trandolapril\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959969", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959969, "molecule_chembl_id": "CHEMBL69367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147789", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147789, "molecule_chembl_id": "CHEMBL255682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.47", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151567", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151567, "molecule_chembl_id": "CHEMBL4546972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlormethiazole edisylate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964525", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACRIFLAVINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964525, "molecule_chembl_id": "CHEMBL1977761", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "505.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Acriflavine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834014", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834014, "molecule_chembl_id": "CHEMBL4303429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-2,3-DIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828525", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULOCTIDIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828525, "molecule_chembl_id": "CHEMBL588119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.57", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Suloctidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828868", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICUMAROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828868, "molecule_chembl_id": "CHEMBL1466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.30", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dicumarol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828238", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828238, "molecule_chembl_id": "CHEMBL4303260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Gramicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829152", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829152, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALOPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834024", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834024, "molecule_chembl_id": "CHEMBL114898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYM-2206"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827747", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOTRETINOIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827747, "molecule_chembl_id": "CHEMBL547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Isotretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828963", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIGECYCLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828963, "molecule_chembl_id": "CHEMBL376140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.66", "alogp": "0.51", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Tigecycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08555", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833473", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833473, "molecule_chembl_id": "CHEMBL3646118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.31", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOLIDUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835122", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VONOPRAZAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835122, "molecule_chembl_id": "CHEMBL2079130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.40", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TAK-438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835596", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELEGILINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835596, "molecule_chembl_id": "CHEMBL972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.29", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "R-Selegiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3132", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)[C@H](C)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830847", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830847, "molecule_chembl_id": "CHEMBL550495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.91", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830848", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830848, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "REPARIXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830850", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830850, "molecule_chembl_id": "CHEMBL186063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MABUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NCCO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832861", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GDC-0152", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832861, "molecule_chembl_id": "CHEMBL2063869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.65", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828031", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTALOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828031, "molecule_chembl_id": "CHEMBL1700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.83", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sotalol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828055", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828055, "molecule_chembl_id": "CHEMBL1398351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.48", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Gabexate mesilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1953", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836550", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.614361465,0.266220385)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOXISTATIN", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836550, "molecule_chembl_id": "CHEMBL63440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloxistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151229", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151229, "molecule_chembl_id": "CHEMBL23996", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitisinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147462", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147462, "molecule_chembl_id": "CHEMBL571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXKETOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146672", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146672, "molecule_chembl_id": "CHEMBL507305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.15", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ansamitocin P-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\\C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147322", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THALIDOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147322, "molecule_chembl_id": "CHEMBL468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THALIDOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147041", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENTAMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147041, "molecule_chembl_id": "CHEMBL3545213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.56", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bentamapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1)c1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957517", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEBANICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957517, "molecule_chembl_id": "CHEMBL430497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.65", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tebanicline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(OC[C@H]2CCN2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151316", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGLITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151316, "molecule_chembl_id": "CHEMBL1561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "miglitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147464", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147464, "molecule_chembl_id": "CHEMBL4225088", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.62", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2981278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151825", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEQUINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151825, "molecule_chembl_id": "CHEMBL544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147430", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147430, "molecule_chembl_id": "CHEMBL1580632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-276779"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146557", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOQUINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146557, "molecule_chembl_id": "CHEMBL86754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.95", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diiodohydroxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREXASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147955, "molecule_chembl_id": "CHEMBL3544911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.40", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Prexasertib (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146655", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146655, "molecule_chembl_id": "CHEMBL1394135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.37", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "m-3M3FBS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151397", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERCANIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151397, "molecule_chembl_id": "CHEMBL250270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "611.74", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "lercanidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151962", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMEFANTRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151962, "molecule_chembl_id": "CHEMBL38827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.95", "alogp": "9.15", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Benflumetol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146666", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENETHYLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146666, "molecule_chembl_id": "CHEMBL610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.18", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENETHYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146818", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146818, "molecule_chembl_id": "CHEMBL314360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-A4C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147968", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLYLTHIOUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147968, "molecule_chembl_id": "CHEMBL1451910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.19", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLYLTHIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146821", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146821, "molecule_chembl_id": "CHEMBL1201139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEGESTROL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151327", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAMOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151327, "molecule_chembl_id": "CHEMBL418192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tolamolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147703", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147703, "molecule_chembl_id": "CHEMBL557129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119878"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NS(=O)(=O)c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152398", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152398, "molecule_chembl_id": "CHEMBL560895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.49", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNX-2112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148280", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148280, "molecule_chembl_id": "CHEMBL448805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dextrose (D-glucose)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152789", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152789, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "DACTOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152791", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152791, "molecule_chembl_id": "CHEMBL1379746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.77", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-272160"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148185", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04937319", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148185, "molecule_chembl_id": "CHEMBL2165615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.44", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04937319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147811", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147811, "molecule_chembl_id": "CHEMBL4303361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.26", "alogp": "3.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NT157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152316", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAKUCHIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152316, "molecule_chembl_id": "CHEMBL262344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.39", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Bakuchiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963759", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPSAPIRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963759, "molecule_chembl_id": "CHEMBL8412", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.49", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ipsapirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963763", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PINCAINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963763, "molecule_chembl_id": "CHEMBL1867802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pincainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960420", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960420, "molecule_chembl_id": "CHEMBL1200791", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYMETAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958348", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958348, "molecule_chembl_id": "CHEMBL557129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119878"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-312.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NS(=O)(=O)c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958894", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PACLITAXEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958894, "molecule_chembl_id": "CHEMBL428647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "853.92", "alogp": "3.74", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "paclitaxel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962951", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLODRONATE DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962951, "molecule_chembl_id": "CHEMBL1520188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.86", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Clodronate Disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960311", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PD-156707 SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960311, "molecule_chembl_id": "CHEMBL25438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.49", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-156707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\\C(=O)[O-])c2ccc3c(c2)OCO3)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956114", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956114, "molecule_chembl_id": "CHEMBL7568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.97", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "QUINACRINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956297", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CABOTEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956297, "molecule_chembl_id": "CHEMBL2403238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CABOTEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961285", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRAHYDROPALMATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961285, "molecule_chembl_id": "CHEMBL487182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.43", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rotundine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964363", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964363, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147024", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147024, "molecule_chembl_id": "CHEMBL3335796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.28", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NHI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147025", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147025, "molecule_chembl_id": "CHEMBL1564869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151528", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROXIFAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151528, "molecule_chembl_id": "CHEMBL14638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.33", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ciproxifan maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962235", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962235, "molecule_chembl_id": "CHEMBL367625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.90", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-74514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.709", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146476", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146476, "molecule_chembl_id": "CHEMBL573107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-D1870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146175", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146175, "molecule_chembl_id": "CHEMBL540394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.15", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Methionine methylsulfonium iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](C)CC[C@H](N)C(=O)O.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150678", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAMIPHEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150678, "molecule_chembl_id": "CHEMBL61946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARAMIPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HISTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150886, "molecule_chembl_id": "CHEMBL90", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "111.15", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HISTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151273", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151273, "molecule_chembl_id": "CHEMBL239767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.14", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-225002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146772", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146772, "molecule_chembl_id": "CHEMBL3287735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151277", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTIRATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151277, "molecule_chembl_id": "CHEMBL3545365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.47", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Altiratinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151040", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOPHOCARPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151040, "molecule_chembl_id": "CHEMBL377725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sophocarpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147378", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147378, "molecule_chembl_id": "CHEMBL429910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147216", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147216, "molecule_chembl_id": "CHEMBL188528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-200070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147516", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147516, "molecule_chembl_id": "CHEMBL422037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.21", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CB-10-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147399", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HISPIDULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147399, "molecule_chembl_id": "CHEMBL293776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HISPIDULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146082", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146082, "molecule_chembl_id": "CHEMBL466253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.28", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0238429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147406", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STRONTIUM RANELATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147406, "molecule_chembl_id": "CHEMBL3707306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.49", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Strontium Ranelate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-].[Sr+2].[Sr+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146708", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILOXANIDE FUROATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146708, "molecule_chembl_id": "CHEMBL1334860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.15", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DILOXANIDE FUROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152055", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOTHILONE D", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152055, "molecule_chembl_id": "CHEMBL96172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.69", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Epothilone D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146673", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-NITROSOGLUTATHIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146673, "molecule_chembl_id": "CHEMBL63507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.33", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Nitrosoglutathione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959067", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959067, "molecule_chembl_id": "CHEMBL154668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.78", "alogp": "1.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-368899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146863", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LCL-161", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146863, "molecule_chembl_id": "CHEMBL2431768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LCL161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963674", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963674, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aniracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.231", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151527", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICIRIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151527, "molecule_chembl_id": "CHEMBL331237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.31", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "triciribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957841", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CUDC-101", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957841, "molecule_chembl_id": "CHEMBL598797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CUDC-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147005", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPRYLCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147005, "molecule_chembl_id": "CHEMBL2104800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPRYLCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)(C)COC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147329", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LASMIDITAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147329, "molecule_chembl_id": "CHEMBL3039520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.37", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LASMIDITAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147334", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147334, "molecule_chembl_id": "CHEMBL1552984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "remacemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccccc1)(NC(=O)CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146455", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146455, "molecule_chembl_id": "CHEMBL1951790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151523", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151523, "molecule_chembl_id": "CHEMBL1392142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.44", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-343866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964422", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPELOPSIN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964422, "molecule_chembl_id": "CHEMBL3348861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.25", "alogp": "0.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Dihydromyricetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959817", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOSIMENDAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959817, "molecule_chembl_id": "CHEMBL2051955", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.29", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVOSIMENDAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146352", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146352, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prednisolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956867", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIGLUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956867, "molecule_chembl_id": "CHEMBL1029", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.28", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "miglustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956886", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956886, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-CROMAKALIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956726", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAPATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956726, "molecule_chembl_id": "CHEMBL554", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.07", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lapatinib ditosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957241", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLTERODINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957241, "molecule_chembl_id": "CHEMBL1382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.50", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tolterodine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962971", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLOXURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962971, "molecule_chembl_id": "CHEMBL917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLOXURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958377", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-FLUOROINDOLE-2-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958377, "molecule_chembl_id": "CHEMBL23507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.15", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-FLUOROINDOLE-2-CARBOXYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958474", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958474, "molecule_chembl_id": "CHEMBL560271", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.44", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119137"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961941", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961941, "molecule_chembl_id": "CHEMBL1628527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "544.63", "alogp": "4.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-627368"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.579", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957349", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957349, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959263", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METOLAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959263, "molecule_chembl_id": "CHEMBL878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOLAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.514", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963690", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963690, "molecule_chembl_id": "CHEMBL4303470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "592.14", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK-923295"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145776", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARDAMOMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145776, "molecule_chembl_id": "CHEMBL378104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.28", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cardamonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957668", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAR-407899", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957668, "molecule_chembl_id": "CHEMBL1667969", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAR407899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]ccc2cc(OC3CCNCC3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145846", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145846, "molecule_chembl_id": "CHEMBL2169920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.55", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148377", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148377, "molecule_chembl_id": "CHEMBL404594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "968.17", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "[Sar1, Ile8]-Angiotensin II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150993", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLIMIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150993, "molecule_chembl_id": "CHEMBL8030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.21", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tolimidone; MLR 1023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Oc2cnc(O)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957994", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957994, "molecule_chembl_id": "CHEMBL1447706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-643585"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152733", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AURINTRICARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152733, "molecule_chembl_id": "CHEMBL275938", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.35", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AURINTRICARBOXYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962621", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOCAPROIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962621, "molecule_chembl_id": "CHEMBL1046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOCAPROIC_acid HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962098", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINPOCETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962098, "molecule_chembl_id": "CHEMBL71752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VINPOCETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956516", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956516, "molecule_chembl_id": "CHEMBL3263773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDC000067"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962091", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962091, "molecule_chembl_id": "CHEMBL55743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AFALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958047", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958047, "molecule_chembl_id": "CHEMBL1620899", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.62", "alogp": "5.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD120663"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCc1n(CC(=O)OC2CC(C)CCC2C(C)C)c2ccccc2[n+]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962093", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962093, "molecule_chembl_id": "CHEMBL2323231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.60", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IWP L6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccccc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145600", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSE BENGAL SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145600, "molecule_chembl_id": "CHEMBL2359093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1017.64", "alogp": "9.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Rose Bengal Sodium Salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148369", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148369, "molecule_chembl_id": "CHEMBL2144409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153370", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN AG-1478", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153370, "molecule_chembl_id": "CHEMBL7917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.76", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150005", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUGGULSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150005, "molecule_chembl_id": "CHEMBL410683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUGGULSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154512", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154512, "molecule_chembl_id": "CHEMBL137648", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "3'-fluorobenzylspiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956336", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956336, "molecule_chembl_id": "CHEMBL3407552", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.26", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJB2-043"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)c2oc(-c3ccccc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153626", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153626, "molecule_chembl_id": "CHEMBL4303346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.62", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oprozomib (ONX 0912)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148849", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALOPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148849, "molecule_chembl_id": "CHEMBL299233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "talopram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1(c2ccccc2)OC(C)(C)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153095", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPYRIFOS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153095, "molecule_chembl_id": "CHEMBL463210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.59", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORPYRIFOS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153745", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153745, "molecule_chembl_id": "CHEMBL2107779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "744.91", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "semapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/NC(=N)N)cc(/C(C)=N/NC(=N)N)c2)cc(/C(C)=N/NC(=N)N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149245", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESVENLAFAXINE SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149245, "molecule_chembl_id": "CHEMBL1201728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.47", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESVENLAFAXINE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154653", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TYRPHOSTIN AG 879", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154653, "molecule_chembl_id": "CHEMBL539947", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "316.47", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 879 (AG 879)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149147", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMERAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149147, "molecule_chembl_id": "CHEMBL438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.31", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153649", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMAPHOS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153649, "molecule_chembl_id": "CHEMBL251680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.77", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COUMOPHOS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149149", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE DIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149149, "molecule_chembl_id": "CHEMBL14830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.20", "alogp": "-1.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ADP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152965", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152965, "molecule_chembl_id": "CHEMBL274789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.37", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iododexetimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(I)cc3)CC2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961277", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOMEPROMAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961277, "molecule_chembl_id": "CHEMBL1764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.48", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levomepromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829867", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIOTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829867, "molecule_chembl_id": "CHEMBL857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.32", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BIOTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829376", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829376, "molecule_chembl_id": "CHEMBL573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834129", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FPL-55712", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834129, "molecule_chembl_id": "CHEMBL267475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.53", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPL-55712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCC(O)COc2ccc3c(=O)cc(C(=O)O)oc3c2CCC)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828315", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMIPRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828315, "molecule_chembl_id": "CHEMBL1200948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimipramine maleate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4774", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829455", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829455, "molecule_chembl_id": "CHEMBL20066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ER-50891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827587", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEPTAMINOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827587, "molecule_chembl_id": "CHEMBL2107282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.71", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Heptaminol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01453", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)CCCC(C)(C)O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833008", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833008, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EMPAGLIFLOZIN (BI10773)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827878", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827878, "molecule_chembl_id": "CHEMBL1200513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "695.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Meclocycline sulfosalicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)C12.O=C(O)c1cc(S(=O)(=O)O)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832933", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUACETISAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832933, "molecule_chembl_id": "CHEMBL2105097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUACETISAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)c1ccccc1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828283", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTRIANISENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828283, "molecule_chembl_id": "CHEMBL1200761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Chlorotrianisene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827562", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827562, "molecule_chembl_id": "CHEMBL1201171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pramoxine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1376", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834143", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATN-161", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834143, "molecule_chembl_id": "CHEMBL4297456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "597.66", "alogp": "-4.81", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ATN-161 (TRIFLUOROACETATE SALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829444", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIENTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829444, "molecule_chembl_id": "CHEMBL3989777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.16", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIENTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832279", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832279, "molecule_chembl_id": "CHEMBL1335195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "821.14", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IOHEXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836214", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILOXANIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836214, "molecule_chembl_id": "CHEMBL2103768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.08", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diloxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0329", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)C(Cl)Cl)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836223", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836223, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Erythromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04359", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831357", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCETINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831357, "molecule_chembl_id": "CHEMBL272980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MOCETINOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836229", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836229, "molecule_chembl_id": "CHEMBL360055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.83", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Gallamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08324", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838782", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.67", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838782, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2137.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831841", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831841, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOCARBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830915", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830915, "molecule_chembl_id": "CHEMBL198159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIARYLPROPIONITRILE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836320", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836320, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUXOLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836166", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836166, "molecule_chembl_id": "CHEMBL210858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pitolisant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC1CC(c2ccc(O)cc2)=NO1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836167", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836167, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ponatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832026", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENTERMINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832026, "molecule_chembl_id": "CHEMBL3184799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.61", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPHENTERMINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831494", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831494, "molecule_chembl_id": "CHEMBL515916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.50", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANT-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836187", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836187, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836315", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIONINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836315, "molecule_chembl_id": "CHEMBL42336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831445", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831445, "molecule_chembl_id": "CHEMBL3989803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.36", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPYRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-40.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831628", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDITOREN PIVOXIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831628, "molecule_chembl_id": "CHEMBL454446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "620.74", "alogp": "2.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFDITORIN PIVOXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\\c3scnc3C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831146", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831146, "molecule_chembl_id": "CHEMBL235993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEGAFUR (FT-207, NSC 148958)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829131", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENISTEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829131, "molecule_chembl_id": "CHEMBL44", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GENISTEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833408", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESEVATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833408, "molecule_chembl_id": "CHEMBL3544983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.39", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TESEVATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833903", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833903, "molecule_chembl_id": "CHEMBL515679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BICUCULLINE-METHOCHLORIDE-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829132", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPH", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829132, "molecule_chembl_id": "CHEMBL268868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.36", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-52411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829134", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICRYNAFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829134, "molecule_chembl_id": "CHEMBL267744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.18", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIENILIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833985", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833985, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROXIPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833924", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ULIFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833924, "molecule_chembl_id": "CHEMBL345937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.39", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ULIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833989", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMEQUINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833989, "molecule_chembl_id": "CHEMBL370252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.25", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMEQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829229", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829229, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPROSTADIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829291", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMDINOCILLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829291, "molecule_chembl_id": "CHEMBL530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.43", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMDINOCILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831332", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR DISOPROXIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831332, "molecule_chembl_id": "CHEMBL1538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.45", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TENOFOVIR DISOPROXIL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831333", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831333, "molecule_chembl_id": "CHEMBL259850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-A014418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838796", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838796, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1; E52862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.033", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PU-H71", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830932, "molecule_chembl_id": "CHEMBL200102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.38", "alogp": "3.28", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "PU-H71"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838964", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE/INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838964, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pimozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "189.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836302", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-NAPHTHALIMIDOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836302, "molecule_chembl_id": "CHEMBL403272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isodibut"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830930", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830930, "molecule_chembl_id": "CHEMBL372199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.93", "alogp": "4.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRK-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831100", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831100, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835976", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835976, "molecule_chembl_id": "CHEMBL1297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fenoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827316", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827316, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tilorone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.81", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836171", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTIRELIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836171, "molecule_chembl_id": "CHEMBL1472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.39", "alogp": "-1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "protirelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04354", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838972", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838972, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "676.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836299", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUVELISIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836299, "molecule_chembl_id": "CHEMBL3039502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IPI-145"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6035", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836176", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RASAGILINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836176, "molecule_chembl_id": "CHEMBL887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rasagiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@@H]1CCc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836362", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836362, "molecule_chembl_id": "CHEMBL1422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.32", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sitagliptin phosphate monohydrate, MK-0431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836304", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836304, "molecule_chembl_id": "CHEMBL1201232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.53", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isopropamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831164", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831164, "molecule_chembl_id": "CHEMBL392068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.48", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY411575"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831005", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAGLIPTIN PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831005, "molecule_chembl_id": "CHEMBL1201174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAGLIPTIN PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831328", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831328, "molecule_chembl_id": "CHEMBL408982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836213", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836213, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835899", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIACEREIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835899, "molecule_chembl_id": "CHEMBL41286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.30", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diacerein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832785", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELESCLOMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832785, "molecule_chembl_id": "CHEMBL1972860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.53", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ELESCLOMOL (STA-4783)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835294", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLOPAMIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835294, "molecule_chembl_id": "CHEMBL51149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.64", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "gallopamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1501", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827773", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827773, "molecule_chembl_id": "CHEMBL1200396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.90", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bupivacaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830727", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYPEGANINE HYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830727, "molecule_chembl_id": "CHEMBL2163792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.71", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DESOXYPEGANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.c1ccc2c(c1)CN1CCCC1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835230", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEMECARIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835230, "molecule_chembl_id": "CHEMBL1201229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.79", "alogp": "6.76", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "demecarium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1597", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835235", "_score": 6.4231606, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835235, "molecule_chembl_id": "CHEMBL1222250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextrose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTAXIME SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146300, "molecule_chembl_id": "CHEMBL1010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "-0.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "cefotaxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146255", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146255, "molecule_chembl_id": "CHEMBL1182777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.30", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STO-609"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150815", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CADRALAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150815, "molecule_chembl_id": "CHEMBL2106561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cadralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150816", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHROMOCARB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150816, "molecule_chembl_id": "CHEMBL83628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.15", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHROMOCARB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962271", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962271, "molecule_chembl_id": "CHEMBL392525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.03", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT129202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.044", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Cl)cnc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962277", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILENGITIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962277, "molecule_chembl_id": "CHEMBL429876", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.67", "alogp": "-2.18", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Cilengitide trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152976", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152976, "molecule_chembl_id": "CHEMBL7064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SP600125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2n[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153046", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153046, "molecule_chembl_id": "CHEMBL1256808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.92", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-96365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150191", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150191, "molecule_chembl_id": "CHEMBL1874337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.66", "alogp": "-1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOROXYDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)/N=C(\\N)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148424", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148424, "molecule_chembl_id": "CHEMBL560590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.45", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149925", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149925, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "felbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150210", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150210, "molecule_chembl_id": "CHEMBL1229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OSELTAMIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957778", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957778, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962392", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962392, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IRBESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962180", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIRAPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962180, "molecule_chembl_id": "CHEMBL1094636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niraparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962447", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COMBRETASTATIN A4", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962447, "molecule_chembl_id": "CHEMBL67", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Combretastatin-A4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957921", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FASIGLIFAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957921, "molecule_chembl_id": "CHEMBL1829174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.64", "alogp": "5.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "FASIGLIFAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957748", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957748, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OMEPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METITEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957932, "molecule_chembl_id": "CHEMBL93240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.56", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHIOTHEPIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962536", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARACEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962536, "molecule_chembl_id": "CHEMBL9116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "-0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caracemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)ON(C(C)=O)C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957941", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957941, "molecule_chembl_id": "CHEMBL2086473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.35", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146269", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LBQ-657", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146269, "molecule_chembl_id": "CHEMBL417007", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.44", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sacubitrilat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146587", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYLIC ACID METABOLITE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146587, "molecule_chembl_id": "CHEMBL907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.90", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxylosartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150727", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150727, "molecule_chembl_id": "CHEMBL1093266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.67", "alogp": "6.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146594", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146594, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962496", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVN-944", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962496, "molecule_chembl_id": "CHEMBL3349001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVN-944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146513", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146513, "molecule_chembl_id": "CHEMBL118687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-39"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150391", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150391, "molecule_chembl_id": "CHEMBL13883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Vanillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150904", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENLAFAXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150904, "molecule_chembl_id": "CHEMBL637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VENLAFAXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145921", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145921, "molecule_chembl_id": "CHEMBL4303401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.12", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(5-fluoro-3-pyridyl)methanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cncc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146407", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146407, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153170", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153170, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VX-745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148667", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148667, "molecule_chembl_id": "CHEMBL4303333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.78", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MJ-15"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148134", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOTOFISOPAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148134, "molecule_chembl_id": "CHEMBL2107351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(S)-Tofisopam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150786", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILOREXANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150786, "molecule_chembl_id": "CHEMBL2107822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FILOREXANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148862", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148862, "molecule_chembl_id": "CHEMBL66879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naringeninic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153770", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153770, "molecule_chembl_id": "CHEMBL1231795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.74", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962446", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPECITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962446, "molecule_chembl_id": "CHEMBL1773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.35", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPECITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957497", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957497, "molecule_chembl_id": "CHEMBL4060831", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ015666"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962298", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962298, "molecule_chembl_id": "CHEMBL335231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "116.12", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-966-(R)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.655", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCN(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962300", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RASAGILINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962300, "molecule_chembl_id": "CHEMBL1201142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.35", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rasagiline mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962301", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HESPERADIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962301, "molecule_chembl_id": "CHEMBL514409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.67", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "hesperadin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957758", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957758, "molecule_chembl_id": "CHEMBL4557267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC2085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](C)N)cc2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962362", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEDIZOLID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962362, "molecule_chembl_id": "CHEMBL1257051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.34", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tedizolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957764", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957764, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COLCHICINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962370", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962370, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ubenimex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962184", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-40411813", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962184, "molecule_chembl_id": "CHEMBL3337527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.89", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-40411813"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962189", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFLOXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962189, "molecule_chembl_id": "CHEMBL1349073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.33", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFLOXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962192", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENICILLIN G POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962192, "molecule_chembl_id": "CHEMBL1223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.49", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLIN G POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957596", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RU-24969", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957596, "molecule_chembl_id": "CHEMBL18785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 24969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(C3=CCNCC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962969", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962969, "molecule_chembl_id": "CHEMBL562961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1084.25", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Argipressine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958466", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMINAZENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958466, "molecule_chembl_id": "CHEMBL35241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.32", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMINAZENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958467", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRYPTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958467, "molecule_chembl_id": "CHEMBL6640", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.22", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958378", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958378, "molecule_chembl_id": "CHEMBL1277122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.36", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963078", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GS-39783", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963078, "molecule_chembl_id": "CHEMBL392394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS-39783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962549", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962549, "molecule_chembl_id": "CHEMBL394875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "135.19", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-methylcysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962157", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELVITEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962157, "molecule_chembl_id": "CHEMBL204656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.89", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Elvitegravir (GS-9137)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.821", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957559", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957559, "molecule_chembl_id": "CHEMBL189753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "596.43", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XCT790"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C(\\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962158", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962158, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pexidartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962163", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TUROFEXORATE ISOPROPYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962163, "molecule_chembl_id": "CHEMBL454138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.47", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Turofexorate Isopropyl (XL335)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.522", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148915", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148915, "molecule_chembl_id": "CHEMBL4303397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BYK-204165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cccc1/C=C1\\C(=O)NC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148004", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148004, "molecule_chembl_id": "CHEMBL2448118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.96", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DONEPEZIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153067", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESIPRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153067, "molecule_chembl_id": "CHEMBL72", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148011", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148011, "molecule_chembl_id": "CHEMBL507614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.19", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Amino_acid Oxidase Inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2sccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153072", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153072, "molecule_chembl_id": "CHEMBL97771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SRC-kinase-inhibitor-I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148929", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148929, "molecule_chembl_id": "CHEMBL2144958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153517", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153517, "molecule_chembl_id": "CHEMBL232656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.90", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX 471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153443", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153443, "molecule_chembl_id": "CHEMBL806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148943", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAEONOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148943, "molecule_chembl_id": "CHEMBL1079227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Paeonol (Peonol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)=O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153723", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-269962A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153723, "molecule_chembl_id": "CHEMBL220241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.61", "alogp": "3.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK269962A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148586", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148586, "molecule_chembl_id": "CHEMBL14249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.18", "alogp": "-1.63", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "ATP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960354", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEMCENTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960354, "molecule_chembl_id": "CHEMBL3809489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.66", "alogp": "4.88", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Bemcentinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.753", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959566", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959566, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964283", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.08", "bao_label": "assay format", "molecule_pref_name": "BAY-11-7085", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964283, "molecule_chembl_id": "CHEMBL270299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "840.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960687", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENPROBAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960687, "molecule_chembl_id": "CHEMBL1079576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenprobamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150499", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAVIRDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150499, "molecule_chembl_id": "CHEMBL593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DELAVIRDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150604", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-431542", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150604, "molecule_chembl_id": "CHEMBL440084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-431542"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150927", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150927, "molecule_chembl_id": "CHEMBL396416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.20", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbocysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146109", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146109, "molecule_chembl_id": "CHEMBL77675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.27", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diphenylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccccc1)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146222", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146222, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958411", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958411, "molecule_chembl_id": "CHEMBL485946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.17", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "4-(n-nonyl) Benzeneboronic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCc1ccc(B(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150634", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150634, "molecule_chembl_id": "CHEMBL4303359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.00", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Belnacasan (VX-765)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957793", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ECONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957793, "molecule_chembl_id": "CHEMBL808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.69", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ECONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962054", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHINIOFON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962054, "molecule_chembl_id": "CHEMBL2104146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.13", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHINIOFON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])O.O=S(=O)(O)c1cc(I)c(O)c2ncccc12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962399", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIAGABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962399, "molecule_chembl_id": "CHEMBL1695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.02", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tiagabine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.564", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957799", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957799, "molecule_chembl_id": "CHEMBL1972466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TGX-221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962280", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962280, "molecule_chembl_id": "CHEMBL1874337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.66", "alogp": "-1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOROXYDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)/N=C(\\N)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152882", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152882, "molecule_chembl_id": "CHEMBL3184847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.18", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxonic_acid potassium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1nc(O)nc(O)n1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148379", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148379, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002589955"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957476", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DORAMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957476, "molecule_chembl_id": "CHEMBL103667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.99", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DORAMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149109", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMYLOCAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149109, "molecule_chembl_id": "CHEMBL1740065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.33", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amyleine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(CN(C)C)OC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148611", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148611, "molecule_chembl_id": "CHEMBL1256701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAN-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150325", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPICATECHIN GALLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150325, "molecule_chembl_id": "CHEMBL36327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.38", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(-)-Epicatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150189", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSCOPOLAMINE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150189, "molecule_chembl_id": "CHEMBL1354199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.30", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHSCOPOLAMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150055", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150055, "molecule_chembl_id": "CHEMBL285584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153356", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153356, "molecule_chembl_id": "CHEMBL353759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.40", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-41-2272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959932", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959932, "molecule_chembl_id": "CHEMBL3109630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-366"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957641", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957641, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PELITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957644", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW7647", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957644, "molecule_chembl_id": "CHEMBL21241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.77", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW 7647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957645", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYBUTYNIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957645, "molecule_chembl_id": "CHEMBL1231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.49", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESOXYBUTYNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147369", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147369, "molecule_chembl_id": "CHEMBL4581497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-229387"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/N=c2\\cc(C)[nH]c3ncnn23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957381", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURVALANOL B", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957381, "molecule_chembl_id": "CHEMBL23254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.91", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURVALANOL B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146741", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146741, "molecule_chembl_id": "CHEMBL570841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.25", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1NC(=O)/C(=C/c2ccc(O)cc2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147770", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYROMAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147770, "molecule_chembl_id": "CHEMBL1231107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.19", "alogp": "-0.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYROMAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(NC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962420", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARICALCITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962420, "molecule_chembl_id": "CHEMBL1200622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PARICALCITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959897", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959897, "molecule_chembl_id": "CHEMBL1650511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.41", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-I-2014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-c1cc(C(F)(F)F)c2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151265", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASULDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151265, "molecule_chembl_id": "CHEMBL358392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.27", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tasuldine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(SCc2cccnc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153532", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153532, "molecule_chembl_id": "CHEMBL1232474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.69", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ECONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153666", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOXANTRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153666, "molecule_chembl_id": "CHEMBL1417019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MITOXANTRONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962799", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962799, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sertindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956239", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956239, "molecule_chembl_id": "CHEMBL1439384", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.73", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRi-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148594", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHOXYPYRIDAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148594, "molecule_chembl_id": "CHEMBL268869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHOXYPYRIDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154276", "_score": 6.4231606, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.50", "bao_label": "organism-based format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154276, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONENSIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3180.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150126", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPINIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150126, "molecule_chembl_id": "CHEMBL1200411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropinirole HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961026", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961026, "molecule_chembl_id": "CHEMBL1188627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-202676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153338", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153338, "molecule_chembl_id": "CHEMBL2204502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.65", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "XL888"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149038", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149038, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cyproterone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147931", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPYL MYRISTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147931, "molecule_chembl_id": "CHEMBL207602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.46", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isopropyl myristate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149057", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITIOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149057, "molecule_chembl_id": "CHEMBL2104457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.21", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CITIOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962988, "molecule_chembl_id": "CHEMBL4303401", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "127.12", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(5-fluoro-3-pyridyl)methanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cncc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148488", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148488, "molecule_chembl_id": "CHEMBL1615374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.00", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149176", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEMIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149176, "molecule_chembl_id": "CHEMBL2111114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.65", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lofemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961405", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961405, "molecule_chembl_id": "CHEMBL3672295", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OTS514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959370", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SISOMICIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959370, "molecule_chembl_id": "CHEMBL2146085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.61", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SISOMICIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964041", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964041, "molecule_chembl_id": "CHEMBL483847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.32", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956347", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITRAVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956347, "molecule_chembl_id": "CHEMBL3989926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "629.69", "alogp": "6.52", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Sitravatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963841", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXANDROLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963841, "molecule_chembl_id": "CHEMBL1200436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxandrolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961031", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961031, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOPIRAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959329", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959329, "molecule_chembl_id": "CHEMBL2146722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.55", "alogp": "7.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-E-5006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(C(c2ccc(F)cc2)c2ccc(C(C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963709", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963709, "molecule_chembl_id": "CHEMBL4303295", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD-9876"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963776", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDIPLON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963776, "molecule_chembl_id": "CHEMBL262075", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.44", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "indiplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955911", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORNITHINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955911, "molecule_chembl_id": "CHEMBL446143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ornithine phenylacetate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963496", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963496, "molecule_chembl_id": "CHEMBL1671940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lu-AA-47070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)/N=c2\\sccn2COP(=O)(O)O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955782", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955782, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Galunisertib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962955", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STAUROSPORINE AGLYCON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962955, "molecule_chembl_id": "CHEMBL268368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.33", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "arcyriaflavin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959487", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAMETHASONE VALERATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959487, "molecule_chembl_id": "CHEMBL1497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.59", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAMETHASONE VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959339", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GADOBUTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959339, "molecule_chembl_id": "CHEMBL2218860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "604.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Gadobutrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964106", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAPITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964106, "molecule_chembl_id": "CHEMBL2408045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD8931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.722", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964112", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFLUMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964112, "molecule_chembl_id": "CHEMBL63323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFLUMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960625", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960625, "molecule_chembl_id": "CHEMBL4173075", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.35", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PT-2385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955704", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955704, "molecule_chembl_id": "CHEMBL477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Adenosine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960737", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROXYQUINOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960737, "molecule_chembl_id": "CHEMBL223448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Br)cc(Br)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959317", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZACOPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959317, "molecule_chembl_id": "CHEMBL1516756", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.27", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zacopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963925", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAEONOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963925, "molecule_chembl_id": "CHEMBL1079227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Paeonol (Peonol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)=O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963935", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963935, "molecule_chembl_id": "CHEMBL4303698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-57444"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963937", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELOTRISTAT ETIPRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963937, "molecule_chembl_id": "CHEMBL3348963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "754.17", "alogp": "4.99", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LX1606 hippurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959499", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAXAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959499, "molecule_chembl_id": "CHEMBL385517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.42", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Saxagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.652", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955634", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955634, "molecule_chembl_id": "CHEMBL4303521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetylcarnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964113", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAUROLIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964113, "molecule_chembl_id": "CHEMBL2105420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "-2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "taurolidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2994", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152905", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMITRINE MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152905, "molecule_chembl_id": "CHEMBL3181957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.78", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Almitrine dimesilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148517", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMAPRIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148517, "molecule_chembl_id": "CHEMBL12344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.27", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimaprit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148533", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYLAMINE SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148533, "molecule_chembl_id": "CHEMBL1200392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.46", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXYLAMINE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148414", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIANHYDROGALACTITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148414, "molecule_chembl_id": "CHEMBL3137322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VAL-083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]([C@@H]1CO1)[C@@H](O)[C@H]1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152920", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152920, "molecule_chembl_id": "CHEMBL177880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.38", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAMOIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148704", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148704, "molecule_chembl_id": "CHEMBL3326831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.56", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NTRC-824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150204", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150204, "molecule_chembl_id": "CHEMBL521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibuprofen\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153542", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153542, "molecule_chembl_id": "CHEMBL1446716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.76", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SULCONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149778", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTIONAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149778, "molecule_chembl_id": "CHEMBL1378024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.28", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROTIONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149056", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149056, "molecule_chembl_id": "CHEMBL1743245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.40", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH223191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150374", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150374, "molecule_chembl_id": "CHEMBL693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.43", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145754", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145754, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tomivosertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963880", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLUCONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963880, "molecule_chembl_id": "CHEMBL464345", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.16", "alogp": "-3.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SODIUM GLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956010", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956010, "molecule_chembl_id": "CHEMBL4574125", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.22", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IO-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnn(-c2cc(-n3cccn3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963207", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963207, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963801", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEHENIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963801, "molecule_chembl_id": "CHEMBL1173474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.59", "alogp": "7.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Docosanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959509", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959509, "molecule_chembl_id": "CHEMBL1897150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.12", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BACLOFEN HYDROCHLORIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964115", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964115, "molecule_chembl_id": "CHEMBL3393066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.42", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VS-5584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.912", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959341", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM ASCORBATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959341, "molecule_chembl_id": "CHEMBL591665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.11", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Sodium ascorbate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958681", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958681, "molecule_chembl_id": "CHEMBL1626177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.11", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-bromo-cAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955703", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955703, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azelaic_acid\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959162", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959162, "molecule_chembl_id": "CHEMBL1715737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLATROPINE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960926", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960926, "molecule_chembl_id": "CHEMBL1331280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.74", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-581"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961101", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961101, "molecule_chembl_id": "CHEMBL3184847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.18", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxonic_acid potassium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1nc(O)nc(O)n1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956096", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956096, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960929", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALICATIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960929, "molecule_chembl_id": "CHEMBL371064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.55", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Balicatib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961109", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMEXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961109, "molecule_chembl_id": "CHEMBL1200617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.53", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rimexolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956384", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956384, "molecule_chembl_id": "CHEMBL505629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DPP-IV-IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956173", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956173, "molecule_chembl_id": "CHEMBL1232515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.55", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-1473759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960960", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960960, "molecule_chembl_id": "CHEMBL4303611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-158"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960988", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960988, "molecule_chembl_id": "CHEMBL4303651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.43", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "neuropathiazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-41.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956222", "_score": 6.4231606, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATAZANAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956222, "molecule_chembl_id": "CHEMBL1163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "704.87", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ATAZANAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827959", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACINAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827959, "molecule_chembl_id": "CHEMBL1140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.13", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicotinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01634", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830321", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830321, "molecule_chembl_id": "CHEMBL1594610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.28", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-86002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831865", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SP-420", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831865, "molecule_chembl_id": "CHEMBL1092665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SP-420"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834654", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POTASSIUM IODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834654, "molecule_chembl_id": "CHEMBL1141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.00", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "POTASSIUM IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[I-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829270", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829270, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INAMRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-39.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839066", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.75", "bao_label": "organism-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839066, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "177.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829894", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829894, "molecule_chembl_id": "CHEMBL44657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.56", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ETOPOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829939", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACTULOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829939, "molecule_chembl_id": "CHEMBL296306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LACTULOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830529", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANDUTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830529, "molecule_chembl_id": "CHEMBL124660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "TANDUTINIB (MLN518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830173", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830173, "molecule_chembl_id": "CHEMBL1256915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESEROLINE-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835501", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.250313346,0.092343472)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILNIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835501, "molecule_chembl_id": "CHEMBL452076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Cilnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1713", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831932", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831932, "molecule_chembl_id": "CHEMBL215421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.86", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WB-4101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831276", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831276, "molecule_chembl_id": "CHEMBL401930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.97", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-536924"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830990", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIBUTRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830990, "molecule_chembl_id": "CHEMBL3989830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SIBUTRAMINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835867", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTISONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835867, "molecule_chembl_id": "CHEMBL111861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Cortisone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1539", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834388", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834388, "molecule_chembl_id": "CHEMBL4303545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.60", "alogp": "1.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-756050"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829693", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXMEDETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829693, "molecule_chembl_id": "CHEMBL2106195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXMEDETOMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831270", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831270, "molecule_chembl_id": "CHEMBL254328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.52", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ABIRATERONE (CB-7598)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832229", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEDRATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832229, "molecule_chembl_id": "CHEMBL1287853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.69", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FEDRATINIB (SAR302503, TG101348)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832234", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIZOLAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832234, "molecule_chembl_id": "CHEMBL1289779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.86", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETIZOLAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827532", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827532, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nisoldipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1199", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832253", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXARSONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832253, "molecule_chembl_id": "CHEMBL1321154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ROXARSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827575", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLANTOIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827575, "molecule_chembl_id": "CHEMBL593429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.12", "alogp": "-2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Allantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NC1NC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827732", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFOPAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827732, "molecule_chembl_id": "CHEMBL1407915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.81", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nefopam hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCOC(c2ccccc2)c2ccccc2C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827579", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMILORIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827579, "molecule_chembl_id": "CHEMBL1398126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.12", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amiloride hydrochloride dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827588", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827588, "molecule_chembl_id": "CHEMBL437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfathiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832292", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832292, "molecule_chembl_id": "CHEMBL1356094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.15", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,3-DCPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNCCCOc1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827453", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827453, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827454", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827454, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832265", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETARSONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832265, "molecule_chembl_id": "CHEMBL1330792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SID69767"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827565", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827565, "molecule_chembl_id": "CHEMBL2146124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefuroxime sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2609", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827567", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHOXYPYRIDAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827567, "molecule_chembl_id": "CHEMBL268869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfamethoxypyridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.005812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827572", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827572, "molecule_chembl_id": "CHEMBL3186768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "684.82", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoprolol-(+)-tartrate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03331", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828169", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACEPINEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828169, "molecule_chembl_id": "CHEMBL1255663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.67", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Racepinephrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3358", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827995", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYNODIOL DIACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827995, "molecule_chembl_id": "CHEMBL1200624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethynodiol diacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832886", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFETAMET", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832886, "molecule_chembl_id": "CHEMBL2103764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFETAMET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828191", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828191, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ubenimex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832899", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABEXINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832899, "molecule_chembl_id": "CHEMBL2103863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ABEXINOSTAT (PCI-24781)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828199", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DONEPEZIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828199, "molecule_chembl_id": "CHEMBL1678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.96", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Donepezil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832902", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832902, "molecule_chembl_id": "CHEMBL2103875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.40", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRAMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832179", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832179, "molecule_chembl_id": "CHEMBL1237018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.88", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-2048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NC)c32)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832181", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832181, "molecule_chembl_id": "CHEMBL1237118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOLASETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832188", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832188, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP242; 75"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832430", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832430, "molecule_chembl_id": "CHEMBL1483341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZAPROPAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H]1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832280", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832280, "molecule_chembl_id": "CHEMBL1335656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHAZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N=c1sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832563", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMPIDINE TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832563, "molecule_chembl_id": "CHEMBL1256139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEMPIDINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C)(C)CCCC1(C)C.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827525", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827525, "molecule_chembl_id": "CHEMBL4303665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benfotiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.009052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(\\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833058", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COBIMETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833058, "molecule_chembl_id": "CHEMBL2146883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.32", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "COBIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827582", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAGUANIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827582, "molecule_chembl_id": "CHEMBL338802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfaguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832286", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832286, "molecule_chembl_id": "CHEMBL1345690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NQDI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFLOXATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832287, "molecule_chembl_id": "CHEMBL1349073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.33", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFLOXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832351", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRONOPOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832351, "molecule_chembl_id": "CHEMBL1408862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.99", "alogp": "-0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRONOPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])C(Br)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827649", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827649, "molecule_chembl_id": "CHEMBL3187985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "625.59", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R(-) Apomorphine hydrochloride hemihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827703", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXACILLIN SODIUM SALT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827703, "molecule_chembl_id": "CHEMBL262636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.87", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloxacillin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827704", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOSAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827704, "molecule_chembl_id": "CHEMBL58323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.30", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03429", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832864", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832864, "molecule_chembl_id": "CHEMBL2064571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CZC24832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828167", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828167, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bosentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827861", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827861, "molecule_chembl_id": "CHEMBL1908357", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1355.39", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Cyanocobalamin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06371", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832573", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832573, "molecule_chembl_id": "CHEMBL1475191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEPTROPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827868", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEBIVOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827868, "molecule_chembl_id": "CHEMBL1201731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.90", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nebivolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1078", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832301", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832301, "molecule_chembl_id": "CHEMBL1358485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.96", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIBU-1361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827876", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINEZOLID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827876, "molecule_chembl_id": "CHEMBL126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.35", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Linezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827903", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827903, "molecule_chembl_id": "CHEMBL3186392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "636.66", "alogp": "-1.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ceftazidime pentahydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O.O.O.O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831156", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831156, "molecule_chembl_id": "CHEMBL233611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.57", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-429242"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836119", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRIZAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836119, "molecule_chembl_id": "CHEMBL462394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "789.10", "alogp": "-0.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "metrizamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08821", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827326", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "IC50", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMETINE DIHYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827326, "molecule_chembl_id": "CHEMBL1255782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.13", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emetine Dihydrochloride Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827331", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.49", "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827331, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832040", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOXAGLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832040, "molecule_chembl_id": "CHEMBL1201291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1268.88", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "IOXAGLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827339", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827339, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Dihydrochloride Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34420.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827343", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827343, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836359", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERAQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836359, "molecule_chembl_id": "CHEMBL539666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "633.52", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "piperaquine-phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836361", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTROLENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836361, "molecule_chembl_id": "CHEMBL1201288", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.26", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sarpogrelate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0794", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836432", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEZAFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836432, "molecule_chembl_id": "CHEMBL264374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.83", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bezafibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02924", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831576", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBENONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831576, "molecule_chembl_id": "CHEMBL1200541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.48", "alogp": "4.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMBENONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836020", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICLOPIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836020, "molecule_chembl_id": "CHEMBL833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.79", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ticlopidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830870", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830870, "molecule_chembl_id": "CHEMBL189477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.14", "alogp": "-0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP 37849"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\[C@@H](N)C(=O)O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832263", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832263, "molecule_chembl_id": "CHEMBL1256839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.93", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YS-035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827463", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827463, "molecule_chembl_id": "CHEMBL1200745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxprenolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832176", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832176, "molecule_chembl_id": "CHEMBL1236904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.49", "alogp": "3.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCT137690"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832223", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832223, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833038", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-38877605", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833038, "molecule_chembl_id": "CHEMBL2133806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.36", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ-38877605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832228", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIBAMPATOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832228, "molecule_chembl_id": "CHEMBL1277001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.62", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MIBAMPATOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830774", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830774, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ORLISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835608", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARTEINE SULFATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835608, "molecule_chembl_id": "CHEMBL2303617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.54", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sparteine-sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06144", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.O.O.O.O.O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830474", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOFENOPRIL CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830474, "molecule_chembl_id": "CHEMBL2105776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "897.19", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOFENOPRIL (CALCIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835612", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERNAKALANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835612, "molecule_chembl_id": "CHEMBL2111112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.47", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "vernakalant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835081", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.402074054,0.182346253)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835081, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2922", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834696", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.69 \u00b1 0.13", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.77", "bao_label": "organism-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834696, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1690.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829975", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829975, "molecule_chembl_id": "CHEMBL51697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOMIFENSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828013", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCYTOSINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828013, "molecule_chembl_id": "CHEMBL1463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.09", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flucytosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1[nH]c(=O)ncc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828159", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TULOBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828159, "molecule_chembl_id": "CHEMBL1256478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.20", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tulobuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830181", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILACEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830181, "molecule_chembl_id": "CHEMBL75838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.22", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MILACEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830186", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830186, "molecule_chembl_id": "CHEMBL75773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.35", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832881", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832881, "molecule_chembl_id": "CHEMBL2094620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830197", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOBILETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830197, "molecule_chembl_id": "CHEMBL76447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.40", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOBILETIN (HEXAMETHOXYFLAVONE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832890", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROXIDOPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832890, "molecule_chembl_id": "CHEMBL2103827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.19", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "droxidopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835619", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEQUALINIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835619, "molecule_chembl_id": "CHEMBL333826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.68", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dequalinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835476", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALSALAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835476, "molecule_chembl_id": "CHEMBL1201346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.32", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "balsalazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830336", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830336, "molecule_chembl_id": "CHEMBL3561133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.49", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOPENTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830215, "molecule_chembl_id": "CHEMBL2331803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.75", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-60-0175 FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835519", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835519, "molecule_chembl_id": "CHEMBL469169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.87", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Olmesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830721", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIPAZEPAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830721, "molecule_chembl_id": "CHEMBL159298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RIPAZEPAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C)c2c1C(c1ccccc1)=NCC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830590", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TINIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830590, "molecule_chembl_id": "CHEMBL1220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TINIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835308", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIMEPIRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835308, "molecule_chembl_id": "CHEMBL1481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.63", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glimepiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2439", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830609", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPELENNAMINE CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830609, "molecule_chembl_id": "CHEMBL1200769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.49", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIPELENNAMINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLE-3-CARBINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830669, "molecule_chembl_id": "CHEMBL155625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INDOLE-3-CARBINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830671", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830671, "molecule_chembl_id": "CHEMBL153057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-165041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835173", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORINOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835173, "molecule_chembl_id": "CHEMBL98", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "3; SAHA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06059", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835201", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.24110461,-0.003319003)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLARITHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835201, "molecule_chembl_id": "CHEMBL1741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "747.96", "alogp": "2.44", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "clarithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830094", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830094, "molecule_chembl_id": "CHEMBL66089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.34", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830301", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINGOLIMOD HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830301, "molecule_chembl_id": "CHEMBL544665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.94", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FINGOLIMOD (FTY720) HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834803", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834803, "molecule_chembl_id": "CHEMBL1976486", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "234.33", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC319726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=S)N1CCC1)c1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834806", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CARBOXYAMIDOTRIAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834806, "molecule_chembl_id": "CHEMBL95431", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "424.68", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CARBOXYAMIDOTRIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834809", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834809, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "POLIDOCANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835229", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAMANID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835229, "molecule_chembl_id": "CHEMBL218650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.49", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Delamanid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07377", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835584", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENPROBAMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835584, "molecule_chembl_id": "CHEMBL1079576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenprobamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1691", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCCCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830255", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZARDAVERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830255, "molecule_chembl_id": "CHEMBL313842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.22", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZARDAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830443", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830443, "molecule_chembl_id": "CHEMBL321415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.51", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-3403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835157", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAPIDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835157, "molecule_chembl_id": "CHEMBL132767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.26", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trapidil, Rocornal, Trapymin, Avantrin, Trapymine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1013", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1cc(C)nc2ncnn12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835159", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835159, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclabendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830361", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830361, "molecule_chembl_id": "CHEMBL812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.12", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDOSTIGMINE BROMIDE (MESTINON)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835166", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFUZOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835166, "molecule_chembl_id": "CHEMBL709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Uroxatral"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833965", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENIBUT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833965, "molecule_chembl_id": "CHEMBL315818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENIGAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832683", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832683, "molecule_chembl_id": "CHEMBL1774055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835150", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIVOZANIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835150, "molecule_chembl_id": "CHEMBL1289494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.87", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tivozanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1611", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835491", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORHEXIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835491, "molecule_chembl_id": "CHEMBL790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.46", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Chlorhexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835153", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTERODINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835153, "molecule_chembl_id": "CHEMBL1382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.50", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolterodine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830537", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRILOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830537, "molecule_chembl_id": "CHEMBL1200586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRILOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-29.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)C(=O)Nc1ccccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830777", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830777, "molecule_chembl_id": "CHEMBL177809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.30", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-IODO-NORDIHYDROCAPSAICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830441", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAMANDOLE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830441, "molecule_chembl_id": "CHEMBL1360024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.50", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFAMANDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834982", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEVANTOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834982, "molecule_chembl_id": "CHEMBL314010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.44", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bevantolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3675", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830698", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRETANIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830698, "molecule_chembl_id": "CHEMBL349803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRETANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834970", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALIPEXOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834970, "molecule_chembl_id": "CHEMBL279085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.32", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "B-HT 920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2nc(N)sc2CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830267", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYSERGIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830267, "molecule_chembl_id": "CHEMBL1065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.47", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYSERGIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-40.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835601", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVASTIGMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835601, "molecule_chembl_id": "CHEMBL636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rivastigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835317", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMINOLEVULINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835317, "molecule_chembl_id": "CHEMBL1201784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.29", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hexaminolevulinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1128", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)CCC(=O)CN", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835374", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835374, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirabegron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828131", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULBACTAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828131, "molecule_chembl_id": "CHEMBL403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.25", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulbactam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830986", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830986, "molecule_chembl_id": "CHEMBL212301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-ARGININE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827213", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.55", "bao_label": "organism-based format", "molecule_pref_name": "PHENAZOPYRIDINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827213, "molecule_chembl_id": "CHEMBL1242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenazopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838874", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINOXIDIL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838874, "molecule_chembl_id": "CHEMBL802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Minoxidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839045", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839045, "molecule_chembl_id": "CHEMBL4303784", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "776.03", "alogp": "1.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ternatin 4 (DA3)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.79", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C=CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C(=O)C(C(C)CC)NC(=O)C(C(O)C(C)C)NC(=O)C2CCCCN2C(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831783", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALOSURAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831783, "molecule_chembl_id": "CHEMBL567303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.54", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PALOSURAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838877", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838877, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "223.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839053", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE, TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839053, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valproic Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831786", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCAINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831786, "molecule_chembl_id": "CHEMBL1762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOCAINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C(C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838741", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M2", "pchembl_value": "6.93", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303774", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL211", "activity_id": 18838741, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "117.49", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "1.83", "sei": "55.57", "bei": "20.15", "le": "0.39"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838742", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M3", "pchembl_value": "7.25", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303775", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL245", "activity_id": 18838742, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.23", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "2.15", "sei": "58.14", "bei": "21.08", "le": "0.41"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831008", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831008, "molecule_chembl_id": "CHEMBL216735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GP2A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831660", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZEBULARINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831660, "molecule_chembl_id": "CHEMBL504567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.20", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZEBULARINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831597", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831597, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZAROTENE (AVAGE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838848", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838848, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "223.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838852", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838852, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lovastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "245.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831911", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPYRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831911, "molecule_chembl_id": "CHEMBL1165011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPYRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831768", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831768, "molecule_chembl_id": "CHEMBL571858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.42", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY 208466 DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831683", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831683, "molecule_chembl_id": "CHEMBL484928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-50481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827211", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.30", "bao_label": "organism-based format", "molecule_pref_name": "PENFLURIDOL", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827211, "molecule_chembl_id": "CHEMBL47050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.97", "alogp": "7.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Penfluridol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5010.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835889", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERIPRONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835889, "molecule_chembl_id": "CHEMBL70927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferiprone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04593", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)ccn1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835893", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAVIRDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835893, "molecule_chembl_id": "CHEMBL593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831092", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831092, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-35.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835902", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835902, "molecule_chembl_id": "CHEMBL139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.15", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830905", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830905, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVONORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835968", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVEROLIMUS", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835968, "molecule_chembl_id": "CHEMBL1908360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "958.24", "alogp": "6.20", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Everolimus, Everolimus (RAD001), RAD001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835981", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835981, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830922", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830922, "molecule_chembl_id": "CHEMBL198997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-261066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1nc(-c2ccc(C(=O)O)c(F)c2)sc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831313", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVOFOSFAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831313, "molecule_chembl_id": "CHEMBL260046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.04", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EVOFOSFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832767", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832767, "molecule_chembl_id": "CHEMBL1947204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.89", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AST-1306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833061, "molecule_chembl_id": "CHEMBL2151790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.32", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0357121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZOLINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833999, "molecule_chembl_id": "CHEMBL3989840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.33", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OZOLINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(N2CCCCC2)S/C1=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827960", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827960, "molecule_chembl_id": "CHEMBL1255654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tetracaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833127", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833127, "molecule_chembl_id": "CHEMBL2324347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1734"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBROTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832669, "molecule_chembl_id": "CHEMBL1742471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EBROTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833921", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833921, "molecule_chembl_id": "CHEMBL4303418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEDROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC2C(C)(C)C3CC12CCC3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832674", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPERGUALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832674, "molecule_chembl_id": "CHEMBL1765508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "619.99", "alogp": "7.57", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "NKP608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829317", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBADOX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829317, "molecule_chembl_id": "CHEMBL13779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.23", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBADOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834018", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834018, "molecule_chembl_id": "CHEMBL4303680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OBETICHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1C(O)C2C3CCC(C(C)CCC(=O)O)C3(C)CCC2C2(C)CCC(O)CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829258", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMAPRIT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829258, "molecule_chembl_id": "CHEMBL12344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.27", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMAPRIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832846", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832846, "molecule_chembl_id": "CHEMBL2048484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.52", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828362", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828362, "molecule_chembl_id": "CHEMBL3039481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "772.99", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2848", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1OC2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833069", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833069, "molecule_chembl_id": "CHEMBL2164243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.17", "alogp": "-0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAMINOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)NC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828369", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VONOPRAZAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828369, "molecule_chembl_id": "CHEMBL2079130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.40", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vonoprazan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828371", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFORMIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828371, "molecule_chembl_id": "CHEMBL39736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.22", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Buformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05958", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC/N=C(/N)N=C(N)N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETIRIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830143, "molecule_chembl_id": "CHEMBL1607273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CETIRIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834431", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834431, "molecule_chembl_id": "CHEMBL4303729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.54", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX8394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830031", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERISETRON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830031, "molecule_chembl_id": "CHEMBL56900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.39", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LERISETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830034", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIPEXOLE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830034, "molecule_chembl_id": "CHEMBL3182733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.27", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAMIPEXOLE DIHYDROCHLORIDE MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834442", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETOCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834442, "molecule_chembl_id": "CHEMBL3301668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "988.18", "alogp": "-2.50", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "CARBETOCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829747", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRONARIDINE TETRAPHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829747, "molecule_chembl_id": "CHEMBL2095224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "910.04", "alogp": "6.09", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "PYRONARIDINE TETRAPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829912", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIBULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829912, "molecule_chembl_id": "CHEMBL49642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "INDIBULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829100", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829100, "molecule_chembl_id": "CHEMBL1200735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.90", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXIFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828922", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828922, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Camostat mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833708", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENOXOLONE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833708, "molecule_chembl_id": "CHEMBL1697717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.73", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CARBENOXOLONE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834634", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834634, "molecule_chembl_id": "CHEMBL4303668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.18", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-MIMOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CN1C=CC(=O)C(=O)C1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORLATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834642, "molecule_chembl_id": "CHEMBL3286830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORLATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828234", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLOPURINOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828234, "molecule_chembl_id": "CHEMBL1467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Allopurinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2[nH][nH]cc1-2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832949", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEDIZOLID PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832949, "molecule_chembl_id": "CHEMBL2105669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.32", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TEDIZOLID (PHOSPHATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834412", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834412, "molecule_chembl_id": "CHEMBL4303618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HECLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829713", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUZINDOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829713, "molecule_chembl_id": "CHEMBL286615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUZINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830127", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830127, "molecule_chembl_id": "CHEMBL66879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NARINGENINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830131", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830131, "molecule_chembl_id": "CHEMBL305195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-25-6981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830532", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830532, "molecule_chembl_id": "CHEMBL434045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHROMANOL-293B-(-)-[3R,4S]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835497", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORTHALIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835497, "molecule_chembl_id": "CHEMBL1055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.77", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chlorthalidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835498", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835498, "molecule_chembl_id": "CHEMBL205596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cholic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1604", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830362", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830362, "molecule_chembl_id": "CHEMBL320193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOQUINOLINE,-6,7-DIMETHOXY-1-METHYL-1,2,3,4-TETRAHYDRO,"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(C)NCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830807", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTOBULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830807, "molecule_chembl_id": "CHEMBL182319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.66", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALTOBULIN (TRIFLUOROACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835516", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTOCRYLENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835516, "molecule_chembl_id": "CHEMBL1201147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.49", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "octocrylene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838743", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M4", "pchembl_value": "7.27", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303776", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1821", "activity_id": 18838743, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.7", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "2.17", "sei": "58.30", "bei": "21.14", "le": "0.41"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834619", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834619, "molecule_chembl_id": "CHEMBL4303613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.52", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEFLAZACORT (CALCORT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832852, "molecule_chembl_id": "CHEMBL2058156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.90", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-LPA5-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828148", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828148, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-fluorouracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2123", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832854", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832854, "molecule_chembl_id": "CHEMBL2058538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPP-86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828151", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828151, "molecule_chembl_id": "CHEMBL826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.32", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enoxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829694", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829694, "molecule_chembl_id": "CHEMBL284795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.34", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c2c1CCC=C2c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832053", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHEMANIL METHYLSULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832053, "molecule_chembl_id": "CHEMBL1200880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.52", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHEMANIL METHYLSULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828217", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBINAFINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828217, "molecule_chembl_id": "CHEMBL822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Terbinafine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8891", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834646", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834646, "molecule_chembl_id": "CHEMBL4303673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.26", "alogp": "0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-HYDROXY-BETA-METHYLBUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)O.CC(C)(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829958", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829958, "molecule_chembl_id": "CHEMBL301717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ST-91"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835615", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLIMIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835615, "molecule_chembl_id": "CHEMBL2105534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zolimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1274", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835618", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPOXETINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835618, "molecule_chembl_id": "CHEMBL2110900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1691", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830167", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830167, "molecule_chembl_id": "CHEMBL1256692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.51", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-62066 MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830183", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORDYCEPIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830183, "molecule_chembl_id": "CHEMBL305686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.25", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CORDYCEPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834904", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMIODARONE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834904, "molecule_chembl_id": "CHEMBL633", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "645.32", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "amiodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835137", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOBROMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835137, "molecule_chembl_id": "CHEMBL1114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "theobromine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c1c(=O)[nH]c(=O)n2C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835319", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRALAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835319, "molecule_chembl_id": "CHEMBL276832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1818", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNc1nncc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835322", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYSTILBAMIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835322, "molecule_chembl_id": "CHEMBL1301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hydroxystilbamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4886", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835575", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIRACETAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835575, "molecule_chembl_id": "CHEMBL36633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "oxiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(O)CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829206", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829206, "molecule_chembl_id": "CHEMBL386389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CYCLOSPORINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834962", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRICITABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834962, "molecule_chembl_id": "CHEMBL210651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Apricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02649", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830278", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXAPROZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830278, "molecule_chembl_id": "CHEMBL1071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.32", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXAPROZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828135", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL VALERATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828135, "molecule_chembl_id": "CHEMBL1511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Estradiol Valerate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832840", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TMC-647055", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832840, "molecule_chembl_id": "CHEMBL2043025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.75", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TMC647055 (CHOLINE SALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)C(=O)NS(=O)(=O)N(C)CCOCCN(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831102", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOPHYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831102, "molecule_chembl_id": "CHEMBL190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THEOPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2nc[nH]c2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830925", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830925, "molecule_chembl_id": "CHEMBL372797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.30", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UBP-302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)O)c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831303", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831303, "molecule_chembl_id": "CHEMBL409024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.19", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-040"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(-c2ccc(Cl)cc2Cl)cc(CP(=O)(O)O)c1O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831112", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831112, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRAMIZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828700", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARPOGRELATE HYROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828700, "molecule_chembl_id": "CHEMBL541829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.97", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sarpogrelate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6236", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833160", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833160, "molecule_chembl_id": "CHEMBL2375681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARAZOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833977", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833977, "molecule_chembl_id": "CHEMBL1413473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.35", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833865", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTYLDODECANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833865, "molecule_chembl_id": "CHEMBL1572050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.55", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "2-OCTYLDODECAN-1-OL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(CO)CCCCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834393", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834393, "molecule_chembl_id": "CHEMBL4303465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.18", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "GALLIUM-TRIQUINOLIN-8-OLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829699", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXEPAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829699, "molecule_chembl_id": "CHEMBL33211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOXEPAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-24.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829838", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829838, "molecule_chembl_id": "CHEMBL296263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THREONINE (DL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829857", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829857, "molecule_chembl_id": "CHEMBL288246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.60", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EMD-66684"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834557", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834557, "molecule_chembl_id": "CHEMBL4303719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.45", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JTE-607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(OCCN2CCN(C)CC2)c(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834817", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834817, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832954", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRENOLANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832954, "molecule_chembl_id": "CHEMBL2105728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CRENOLANIB (CP-868596)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828253", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCETIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828253, "molecule_chembl_id": "CHEMBL1697856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bucetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=O)CC(C)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828257", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMIPRON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828257, "molecule_chembl_id": "CHEMBL1231530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betamipron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832961", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCROSE OCTAACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832961, "molecule_chembl_id": "CHEMBL2105790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "678.59", "alogp": "-0.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SUCROSE OCTAACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833970", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFOSFAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833970, "molecule_chembl_id": "CHEMBL1024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IFOSFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(NCCCl)OCCCN1CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828211", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGRELIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828211, "molecule_chembl_id": "CHEMBL760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.09", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Anagrelide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03931", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834626", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834626, "molecule_chembl_id": "CHEMBL4303287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832918", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECABET", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832918, "molecule_chembl_id": "CHEMBL2104585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.51", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ECABET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830326", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECLOFENAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830326, "molecule_chembl_id": "CHEMBL93645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACECLOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835427", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835427, "molecule_chembl_id": "CHEMBL484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.19", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "adefovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2505", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2CCOCP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835304", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835304, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gilteritinib (ASP2215)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830601", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830601, "molecule_chembl_id": "CHEMBL1200340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OSELTAMIVIR PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830608", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830608, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azelaic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835313", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOFUGINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835313, "molecule_chembl_id": "CHEMBL1197091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.69", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Halofuginone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1357", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833715", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLANDELATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833715, "molecule_chembl_id": "CHEMBL1480987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLANDELATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833717", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HETACILLIN POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833717, "molecule_chembl_id": "CHEMBL1201121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.57", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HETACILLIN POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830188", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830188, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEPAFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834900", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834900, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830239", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830239, "molecule_chembl_id": "CHEMBL310871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.68", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMP 777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835580", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOTHENIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835580, "molecule_chembl_id": "CHEMBL1594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pantothenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1559", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830682", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINIDINE GLUCONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830682, "molecule_chembl_id": "CHEMBL1200437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.58", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUINIDINE GLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835587", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINDOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835587, "molecule_chembl_id": "CHEMBL500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pindolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834968", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834968, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azelaic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835597", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACLOPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835597, "molecule_chembl_id": "CHEMBL8809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.24", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "raclopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02798", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828386", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828386, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vandetanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828980", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFACLOR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828980, "molecule_chembl_id": "CHEMBL680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.81", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loracarbef"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMSULOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829827, "molecule_chembl_id": "CHEMBL1200914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.98", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAMSULOSIN.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827849", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBARSONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827849, "molecule_chembl_id": "CHEMBL1331366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.08", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Carbarsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827929", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOXICAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827929, "molecule_chembl_id": "CHEMBL302795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tenoxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828033", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARIFENACIN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828033, "molecule_chembl_id": "CHEMBL1200935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Darifenacin hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832808", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832808, "molecule_chembl_id": "CHEMBL2005379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIACETOXYSCIRPENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828110", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSERINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828110, "molecule_chembl_id": "CHEMBL771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "D-cycloserine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.427", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CONC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828046", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828046, "molecule_chembl_id": "CHEMBL1592663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.54", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pizotifen malate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828118", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOSALICYLIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828118, "molecule_chembl_id": "CHEMBL1169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-aminosalicylic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4727", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827949", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFUROXAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827949, "molecule_chembl_id": "CHEMBL244888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nifuroxazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832826", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN KAMEDOXOMIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832826, "molecule_chembl_id": "CHEMBL2103795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.63", "alogp": "4.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AZILSARTAN MEDOXOMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABRAFENIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832827, "molecule_chembl_id": "CHEMBL2028663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dabrafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828128", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828128, "molecule_chembl_id": "CHEMBL1201736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.03", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefepime hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832834", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832834, "molecule_chembl_id": "CHEMBL2032413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.51", "alogp": "8.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CP-532623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828089", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERIDOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828089, "molecule_chembl_id": "CHEMBL1511957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.90", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piperidolate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828985", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.69", "bao_label": "organism-based format", "molecule_pref_name": "OXPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828985, "molecule_chembl_id": "CHEMBL1200745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxprenolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834515", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834515, "molecule_chembl_id": "CHEMBL562961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1084.25", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ARGIPRESSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829821", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829821, "molecule_chembl_id": "CHEMBL290904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.34", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RYUVIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834533", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834533, "molecule_chembl_id": "CHEMBL4303700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.49", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU14813"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834537", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834537, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHR-6494"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829841", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829841, "molecule_chembl_id": "CHEMBL842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834545", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834545, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833827, "molecule_chembl_id": "CHEMBL4303474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.80", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CEPHALOSPORIN C ZN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C2C(=O)O[Zn]OC(=O)C(N)CCCC(=O)N[C@@H]3C(=O)N2C3SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833832", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASCORBYL PALMITATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833832, "molecule_chembl_id": "CHEMBL220190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.54", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASCORBYL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRINOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829198, "molecule_chembl_id": "CHEMBL3989514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "677.19", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IRINOTECAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832763", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-8245", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832763, "molecule_chembl_id": "CHEMBL1938870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.26", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-8245"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835176", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZASETRON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835176, "molecule_chembl_id": "CHEMBL1598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.82", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-25130 hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1081", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833036", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833036, "molecule_chembl_id": "CHEMBL2107566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.82", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SOMANTADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)CC12CC3CC(CC(C3)C1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828358", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICALUTAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828358, "molecule_chembl_id": "CHEMBL409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bicalutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828591", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFADROXIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828591, "molecule_chembl_id": "CHEMBL1644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefadroxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02715", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832341", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832341, "molecule_chembl_id": "CHEMBL1398683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.45", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIGLITAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832256", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIFENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832256, "molecule_chembl_id": "CHEMBL1323453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETIFENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833063", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABC-294640", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833063, "molecule_chembl_id": "CHEMBL2158685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABC294640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832259", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOXYBENZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832259, "molecule_chembl_id": "CHEMBL1326877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIOXYBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836149", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NERATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836149, "molecule_chembl_id": "CHEMBL180022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.05", "alogp": "5.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Neratinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831278", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831278, "molecule_chembl_id": "CHEMBL1436386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-298198-DESMETHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830987", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830987, "molecule_chembl_id": "CHEMBL213100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.68", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WH-4-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836121", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-201724", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836121, "molecule_chembl_id": "CHEMBL18701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mexiletine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(CC2CNC(=O)N2)ccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835873", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYAMEMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835873, "molecule_chembl_id": "CHEMBL2104153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.47", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyamemazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06709", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834414", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834414, "molecule_chembl_id": "CHEMBL1628527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.63", "alogp": "4.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-627368"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829715", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KAEMPFEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829715, "molecule_chembl_id": "CHEMBL150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KAEMPFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834832", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HAEMAPORPHYRIN", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834832, "molecule_chembl_id": "CHEMBL317840", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "598.70", "alogp": "6.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "HEMATOPORPHYRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830021", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830021, "molecule_chembl_id": "CHEMBL53898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830022", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830022, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "RITONAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829025", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829025, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolutegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833157", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833157, "molecule_chembl_id": "CHEMBL2367812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.54", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW311616"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827984", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOHIPPURIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827984, "molecule_chembl_id": "CHEMBL463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aminohippuric acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832883", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIVALIRUDIN TRIFLUOROACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832883, "molecule_chembl_id": "CHEMBL3989957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "2408.36", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BIVALIRUDIN (TRIFLUOROACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828056", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828056, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lodoxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07532", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832761", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-0893", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832761, "molecule_chembl_id": "CHEMBL1933349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.49", "alogp": "7.50", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "MK 0893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829877", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829877, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CINNARAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827961", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMETASONE FUROATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827961, "molecule_chembl_id": "CHEMBL1161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.44", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mometasone furoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832672", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832672, "molecule_chembl_id": "CHEMBL1744069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.43", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIMOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829318", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829318, "molecule_chembl_id": "CHEMBL266834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DADLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828448", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828448, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833153", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRADIGASTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833153, "molecule_chembl_id": "CHEMBL2364624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.48", "alogp": "6.65", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "PRADIGASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828143", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828143, "molecule_chembl_id": "CHEMBL1316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.72", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829756", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829756, "molecule_chembl_id": "CHEMBL35093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168568"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829146", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPSAPIRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829146, "molecule_chembl_id": "CHEMBL8412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.49", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPSAPIRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832115", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLX-4720", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832115, "molecule_chembl_id": "CHEMBL1230020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.83", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PLX-4720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827412", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827412, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829918", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829918, "molecule_chembl_id": "CHEMBL296480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "670.86", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SAQUINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829880", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829880, "molecule_chembl_id": "CHEMBL46469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTHRALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2Cc2cccc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832616", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832616, "molecule_chembl_id": "CHEMBL1671940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LU-AA-47070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)/N=c2\\sccn2COP(=O)(O)O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828456", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828456, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levamisole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3696", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832688", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARAFENACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832688, "molecule_chembl_id": "CHEMBL1779046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.39", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TARAFENACIN (D-TARTRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834624", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834624, "molecule_chembl_id": "CHEMBL469045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.50", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISTAROXIME (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834565", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELITHROMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834565, "molecule_chembl_id": "CHEMBL1136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "812.02", "alogp": "4.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TELITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832920", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITOSCANATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832920, "molecule_chembl_id": "CHEMBL2104676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.27", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BITOSCANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1ccc(N=C=S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835133", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835133, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "teriflunomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.133", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830380", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINODRONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830380, "molecule_chembl_id": "CHEMBL319144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.15", "alogp": "-0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MINODRONIC ACID HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828222", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828222, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOTEPREDNOL ETABONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827161", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.30", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827161, "molecule_chembl_id": "CHEMBL4303672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.59", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO 5334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "500.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CS/C(=N\\NC(=O)C(=O)[C@@H](NC(=O)C2CCCCCC2)C2CCOCC2)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830306", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830306, "molecule_chembl_id": "CHEMBL88588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORG-25543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830231", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830231, "molecule_chembl_id": "CHEMBL77675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.27", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHENYLGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccccc1)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829876", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829876, "molecule_chembl_id": "CHEMBL1519829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.87", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBINOXAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834005", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834005, "molecule_chembl_id": "CHEMBL4303632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.67", "alogp": "2.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PERUVOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1C(O)[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)OC(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827956", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827956, "molecule_chembl_id": "CHEMBL4303419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "694.84", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atropine sulfate monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2.CN1[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2.O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835143", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835143, "molecule_chembl_id": "CHEMBL84158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.43", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tiapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1795", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830201", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDISULAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830201, "molecule_chembl_id": "CHEMBL77517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INDISULAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832916", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETEPRINIM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832916, "molecule_chembl_id": "CHEMBL2104345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.30", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LETEPRINIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839005", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839005, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RP101 (Brivudine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831861", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSMAPIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831861, "molecule_chembl_id": "CHEMBL1088752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LOSMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828230", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIBUTEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828230, "molecule_chembl_id": "CHEMBL1605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ceftibuten"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829960", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSTHOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829960, "molecule_chembl_id": "CHEMBL52229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OSTHOLE (OSTHOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2ccc(=O)oc2c1CC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829981", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829981, "molecule_chembl_id": "CHEMBL294649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.38", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-56812"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830281", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUMETANIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830281, "molecule_chembl_id": "CHEMBL1072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUMETANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834686", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.77 \u00b1 0.29", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.11", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834686, "molecule_chembl_id": "CHEMBL559569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.41", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-612111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "770.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834687", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.78 \u00b1 0.14", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.11", "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834687, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829986", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZASTAURIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829986, "molecule_chembl_id": "CHEMBL300138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.62", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ENZASTAURIN (LY317615)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835189", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835189, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Avatrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829992", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLEDRONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829992, "molecule_chembl_id": "CHEMBL924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.09", "alogp": "-1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLEDRONIC ACID (ZOLEDRONATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834791", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "49.03 \u00b1 45.94", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834791, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOTEPREDNOL ETABONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49030.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830095", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830095, "molecule_chembl_id": "CHEMBL1371857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.98", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830007", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEVASTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830007, "molecule_chembl_id": "CHEMBL54440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834922", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABAZITAXEL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834922, "molecule_chembl_id": "CHEMBL1201748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "835.94", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cabazitaxel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829677", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829677, "molecule_chembl_id": "CHEMBL1200791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYMETAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829678", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FISETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829678, "molecule_chembl_id": "CHEMBL31574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FISETIN (FUSTEL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834575", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834575, "molecule_chembl_id": "CHEMBL4303194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-268712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3cnn(CCO)c3)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827914", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIFENIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827914, "molecule_chembl_id": "CHEMBL1323453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etifenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834771", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "7.61 \u00b1 0.06", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834771, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7610.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827968", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "YOHIMBINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827968, "molecule_chembl_id": "CHEMBL537669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.91", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Yohimbine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834822", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RALIMETINIB MESYLATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834822, "molecule_chembl_id": "CHEMBL2364627", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "612.75", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY2228820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829710", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLBUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829710, "molecule_chembl_id": "CHEMBL782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.35", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLBUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829711", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NATEGLINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829711, "molecule_chembl_id": "CHEMBL783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NATEGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827282", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827282, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Digitoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "214.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827283", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827283, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "256.61", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831988", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE DECANOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831988, "molecule_chembl_id": "CHEMBL1200854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.78", "alogp": "8.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "FLUPHENAZINE DECANOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838939", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK ACTIVITY/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.94", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838939, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11455.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838942", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "6.10", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838942, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "794.33", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "1.95", "sei": "20.84", "bei": "21.60", "le": "0.40"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827291", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYPROGESTERONE CAPROATE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827291, "molecule_chembl_id": "CHEMBL1200848", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hydroxyprogesterone caproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.93", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831995", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORGESTIMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831995, "molecule_chembl_id": "CHEMBL1200934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTIMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832151", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KIFUNENSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832151, "molecule_chembl_id": "CHEMBL1233851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.19", "alogp": "-4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KIFUNENSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832152", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832152, "molecule_chembl_id": "CHEMBL1234071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOCTIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@H]1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827542", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TADALAFIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827542, "molecule_chembl_id": "CHEMBL779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.41", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tadalafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827699", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENESIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827699, "molecule_chembl_id": "CHEMBL229128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mephenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827745", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORTRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827745, "molecule_chembl_id": "CHEMBL1201156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.85", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nortriptyline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1838", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827819", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRINZOLAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827819, "molecule_chembl_id": "CHEMBL220491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.52", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brinzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827601", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827601, "molecule_chembl_id": "CHEMBL1526434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antipyrine, 4-hydroxy"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.008337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832609", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04457845", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832609, "molecule_chembl_id": "CHEMBL1651534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.44", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04457845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832531", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFACALCIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832531, "molecule_chembl_id": "CHEMBL1601669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALFACALCIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827462", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827462, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832167", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMPHENICOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832167, "molecule_chembl_id": "CHEMBL1236282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.23", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "THIAMPHENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827465", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827465, "molecule_chembl_id": "CHEMBL1256817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.30", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clemizole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.007", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828339", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESTRANOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828339, "molecule_chembl_id": "CHEMBL1201151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethynylestradiol 3-methyl ether"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7523", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827548", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827548, "molecule_chembl_id": "CHEMBL1200469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827854", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOTINIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827854, "molecule_chembl_id": "CHEMBL553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erlotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827626", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827626, "molecule_chembl_id": "CHEMBL1319362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.26", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R,S) Homatropine hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828332", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828332, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zolmitriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832339", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORISONDAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832339, "molecule_chembl_id": "CHEMBL1398654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.14", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORISONDAMINE-DIIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835419", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835419, "molecule_chembl_id": "CHEMBL3184604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aceglutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835421", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAMINOPHEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835421, "molecule_chembl_id": "CHEMBL112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acetaminophen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835578", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALBOCICLIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835578, "molecule_chembl_id": "CHEMBL189963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.54", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Palbociclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.007482", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830887", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830887, "molecule_chembl_id": "CHEMBL195789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-9810"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830892", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROMOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830892, "molecule_chembl_id": "CHEMBL2206196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.71", "alogp": "-8.86", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "PAROMOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838973", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838973, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ponatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827327", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.20", "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827327, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832033", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832033, "molecule_chembl_id": "CHEMBL1200988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHANTHELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830080", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830080, "molecule_chembl_id": "CHEMBL292477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-693403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830085", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZOMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830085, "molecule_chembl_id": "CHEMBL433637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.08", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZOMYCIN (2-NITROIMIDAZOLE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830765, "molecule_chembl_id": "CHEMBL172988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.06", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENTADECAFLUOROOCTANOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832035", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHENAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832035, "molecule_chembl_id": "CHEMBL1201270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "140.19", "alogp": "-1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHENAMINE (MANDELAMINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1N2CN3CN1CN(C2)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834702", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2.76 \u00b1 1.3", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.56", "bao_label": "organism-based format", "molecule_pref_name": "RAVUCONAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834702, "molecule_chembl_id": "CHEMBL294029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RAVUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2760.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834985", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834985, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bosutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09732", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836018", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAPROFENIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836018, "molecule_chembl_id": "CHEMBL365795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tiaprofenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834704", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "3.27 \u00b1 1.94", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.49", "bao_label": "organism-based format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834704, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3270.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831106", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831106, "molecule_chembl_id": "CHEMBL226630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK 383367"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834799", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2128.78 \u00b1 3592.46", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834799, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2128780.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831570", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831570, "molecule_chembl_id": "CHEMBL469169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.87", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-939572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836512", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACYCLOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836512, "molecule_chembl_id": "CHEMBL184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.21", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acyclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1075", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COCCO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829798", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829798, "molecule_chembl_id": "CHEMBL1896987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.84", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALIZAPRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832036", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832036, "molecule_chembl_id": "CHEMBL1200729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.19", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMPHENICOL SODIUM SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836435", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEFICITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836435, "molecule_chembl_id": "CHEMBL3137308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.40", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Peficitinib (ASP015K, JNJ-54781532)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.009204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830479", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOSALICYLATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830479, "molecule_chembl_id": "CHEMBL2096646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.15", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOSALICYLATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834988", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834988, "molecule_chembl_id": "CHEMBL4303247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.87", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTK IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1071", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNc1cccc(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831567", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831567, "molecule_chembl_id": "CHEMBL446918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.04", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C)c(Cl)c(=O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834708", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5.43 \u00b1 1.01", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.26", "bao_label": "organism-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834708, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEXIDARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5430.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829793", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-694247", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829793, "molecule_chembl_id": "CHEMBL39317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.49", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-694247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831808", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCODAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831808, "molecule_chembl_id": "CHEMBL596009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROCODAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838766", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838766, "molecule_chembl_id": "CHEMBL4125931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(N)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828822", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828822, "molecule_chembl_id": "CHEMBL541521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.80", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIDOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01364", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834274", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834274, "molecule_chembl_id": "CHEMBL4303227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "951.21", "alogp": "2.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ANTAGONIST-G"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832045", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832045, "molecule_chembl_id": "CHEMBL1201320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OMEPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834303", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834303, "molecule_chembl_id": "CHEMBL4303338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.53", "alogp": "5.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LX-1031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc([C@@H](Oc3cc(-c4ccc(C[C@H](N)C(=O)O)cc4)nc(N)n3)C(F)(F)F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831162", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GS-39783", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831162, "molecule_chembl_id": "CHEMBL392394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS-39783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831166", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831166, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830869", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830869, "molecule_chembl_id": "CHEMBL190561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NADIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829308", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829308, "molecule_chembl_id": "CHEMBL541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828729", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOCORTOLONE PIVALATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828729, "molecule_chembl_id": "CHEMBL1200975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clocortolone pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830884", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830884, "molecule_chembl_id": "CHEMBL370962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY 60-7550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nc(O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834487", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETASPIMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834487, "molecule_chembl_id": "CHEMBL1184904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.71", "alogp": "4.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "RETASPIMYCIN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "74.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835422", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835422, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acetohexamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831193", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRELADENANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831193, "molecule_chembl_id": "CHEMBL240624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.57", "alogp": "2.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "PRELADENANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831234", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831234, "molecule_chembl_id": "CHEMBL1498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DESOXYCORTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838779", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838779, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "188.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830580", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830580, "molecule_chembl_id": "CHEMBL1200339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.67", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-PHENYLEPHRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831042", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSCOPOLAMINE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831042, "molecule_chembl_id": "CHEMBL1354199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.30", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHSCOPOLAMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835914", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835914, "molecule_chembl_id": "CHEMBL815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dinoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3611", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833706", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833706, "molecule_chembl_id": "CHEMBL4303199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CASIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829669, "molecule_chembl_id": "CHEMBL287327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.23", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-689560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829674", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829674, "molecule_chembl_id": "CHEMBL28626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MORIN HYDRATE (AURANTICA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834721", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "16.78 \u00b1 6.9", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.78", "bao_label": "organism-based format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834721, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834582", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOWH-032", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834582, "molecule_chembl_id": "CHEMBL4297392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.19", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "IOWH 032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833499", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833499, "molecule_chembl_id": "CHEMBL3770903", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.56", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SIRREAL-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829888", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KHELLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829888, "molecule_chembl_id": "CHEMBL44746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.24", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHELLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2c(OC)c2c(=O)cc(C)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834611", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834611, "molecule_chembl_id": "CHEMBL4303529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.64", "alogp": "7.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YM-750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)N(Cc2ccc3c(c2)Cc2ccccc2-3)C2CCCCCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829704", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAZINDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829704, "molecule_chembl_id": "CHEMBL781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.75", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MAZINDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828809", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFENAMATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828809, "molecule_chembl_id": "CHEMBL1451633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828116", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARAFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828116, "molecule_chembl_id": "CHEMBL37858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.37", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sarafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7995", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829560", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOLINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829560, "molecule_chembl_id": "CHEMBL286204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINOLINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833963", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833963, "molecule_chembl_id": "CHEMBL2146722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.55", "alogp": "7.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-E-5006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(C(c2ccc(F)cc2)c2ccc(C(C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833066", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833066, "molecule_chembl_id": "CHEMBL2159498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.32", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P22077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828075", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCABASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828075, "molecule_chembl_id": "CHEMBL1237102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.99", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levocabastine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.00475", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833844", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833844, "molecule_chembl_id": "CHEMBL3039468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.91", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYPROTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829150", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829150, "molecule_chembl_id": "CHEMBL459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID8139902"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833311", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-5190457", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833311, "molecule_chembl_id": "CHEMBL3287218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.68", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-05190457"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4cn5cc(C)sc5n4)CC3)C2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834220", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834220, "molecule_chembl_id": "CHEMBL4303272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.69", "alogp": "7.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NDT-9513727"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828800", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORICIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828800, "molecule_chembl_id": "CHEMBL1200334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.99", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moricizine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.512", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833477", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833477, "molecule_chembl_id": "CHEMBL3672841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.82", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ011989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834034", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834034, "molecule_chembl_id": "CHEMBL430112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.27", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGN-192403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C1C2CCC(C2)C1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833991", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833991, "molecule_chembl_id": "CHEMBL4303628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.52", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PINAVERIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(C[N+]2(CCOCCC3CC[C@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827843", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAVIRDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827843, "molecule_chembl_id": "CHEMBL593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2434", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828109", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828109, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Topiramate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2075", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831854", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831854, "molecule_chembl_id": "CHEMBL2359059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.95", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPIVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838807", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.39", "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838807, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID104171168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40457.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827158", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.66", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827158, "molecule_chembl_id": "CHEMBL423112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL 28170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PITAVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832061, "molecule_chembl_id": "CHEMBL1237061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "881.00", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PITAVASTATIN CALCIUM (LIVALO)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832062", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832062, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUFINAMIDE (BANZEL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLIBRESIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832143, "molecule_chembl_id": "CHEMBL1232461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.90", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "I-BET-762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839016", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839016, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827369", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "IC50", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827369, "molecule_chembl_id": "CHEMBL1637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.66", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833460", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833460, "molecule_chembl_id": "CHEMBL3617053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.56", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-121431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833653", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833653, "molecule_chembl_id": "CHEMBL1450004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-USNIACIN (D-USNIC ACID)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828949", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPROZIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828949, "molecule_chembl_id": "CHEMBL276568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefprozil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04724", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832789", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832789, "molecule_chembl_id": "CHEMBL1978713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.44", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-152100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831782", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831782, "molecule_chembl_id": "CHEMBL3188549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FOSFOMYCIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832106", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832106, "molecule_chembl_id": "CHEMBL1223381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.29", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0364439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839058", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839058, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valproic Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "121.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839061", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839061, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.231", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827243", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYPROGESTERONE CAPROATE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827243, "molecule_chembl_id": "CHEMBL1200848", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hydroxyprogesterone caproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831851", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-2014", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831851, "molecule_chembl_id": "CHEMBL1078983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU-0063794"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834285", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPHOTERICIN B", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834285, "molecule_chembl_id": "CHEMBL267345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "924.09", "alogp": "0.71", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "AMPHOTERICIN B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834287, "molecule_chembl_id": "CHEMBL1963131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB 3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829567", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829567, "molecule_chembl_id": "CHEMBL25230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.61", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-373U86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828818", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOZOSIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828818, "molecule_chembl_id": "CHEMBL1603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STREPTOZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829590", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENINDIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829590, "molecule_chembl_id": "CHEMBL711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834185", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMATINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834185, "molecule_chembl_id": "CHEMBL4283683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "4SC-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828996", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828996, "molecule_chembl_id": "CHEMBL1323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.67", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Darunavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829489", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBROMSALAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829489, "molecule_chembl_id": "CHEMBL24944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.92", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIBOMSALAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828738", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828738, "molecule_chembl_id": "CHEMBL1290003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.42", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Granisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833444", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833444, "molecule_chembl_id": "CHEMBL3589010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICRT-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C2\\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832747", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-461364", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832747, "molecule_chembl_id": "CHEMBL1908394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK461364"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829550", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829550, "molecule_chembl_id": "CHEMBL23236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.73", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BETULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829311", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829311, "molecule_chembl_id": "CHEMBL14060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.11", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833879", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833879, "molecule_chembl_id": "CHEMBL4303406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.64", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "ANTIMONY POTASSIUM TARTRATE TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834015", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834015, "molecule_chembl_id": "CHEMBL4303463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ANIDULAFUNGIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)NC4CC(O)C(O)NC(=O)C5C(O)C(C)CN5C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c5ccc(O)cc5)NC(=O)C5CC(O)CN5C(=O)C(C(C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834286", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834286, "molecule_chembl_id": "CHEMBL4303611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-158"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833744", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPREOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833744, "molecule_chembl_id": "CHEMBL2218913", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1517.59", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CAPREOMYCIN (SULFATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828819", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATRACURIUM BESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828819, "molecule_chembl_id": "CHEMBL1200527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1243.50", "alogp": "8.07", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Atracurium besylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8693", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829573", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINYLCHOLINE CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829573, "molecule_chembl_id": "CHEMBL983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.31", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUCCINYLCHOLINE-CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829652", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829652, "molecule_chembl_id": "CHEMBL1204168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.67", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829657", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829657, "molecule_chembl_id": "CHEMBL282093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.80", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829659", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829659, "molecule_chembl_id": "CHEMBL285819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.69", "alogp": "-1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-CHLOROADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829760", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829760, "molecule_chembl_id": "CHEMBL37081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-TEDC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)OCCc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829564", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TABIMORELIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829564, "molecule_chembl_id": "CHEMBL281764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.70", "alogp": "3.71", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TABIMORELIN FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830156", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830156, "molecule_chembl_id": "CHEMBL71921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SERATRODAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829739", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829739, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828934", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPOXYCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828934, "molecule_chembl_id": "CHEMBL1769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.86", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propoxycaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827830", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOXANTRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827830, "molecule_chembl_id": "CHEMBL1417019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mitoxantrone dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834318", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOZOSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834318, "molecule_chembl_id": "CHEMBL1603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STREPTOZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832613", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAR-407899", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832613, "molecule_chembl_id": "CHEMBL3545341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.76", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAR407899 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834337", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834337, "molecule_chembl_id": "CHEMBL4303478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.86", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DPC-681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNCc1cccc(F)c1)C(C)(C)C)S(=O)(=O)c1cccc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832625", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832625, "molecule_chembl_id": "CHEMBL1689369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TTP-22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827851", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACAMPICILLIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827851, "molecule_chembl_id": "CHEMBL1200965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.99", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bacampicillin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03657", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828806", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPROPTERIN DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828806, "molecule_chembl_id": "CHEMBL1201775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.17", "alogp": "-1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sapropterin dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4022", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835364", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METARAMINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835364, "molecule_chembl_id": "CHEMBL1201319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metaraminol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830660", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIQUIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830660, "molecule_chembl_id": "CHEMBL1282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIQUIMOD HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834498", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GDC-0917", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834498, "molecule_chembl_id": "CHEMBL4297282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.71", "alogp": "4.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "CUDC-427"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829799", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREQUINAR SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829799, "molecule_chembl_id": "CHEMBL300058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.36", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BREQUINAR SODIUM SALT HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829809", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829809, "molecule_chembl_id": "CHEMBL288542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.24", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-14-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834860", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ADOPRAZINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834860, "molecule_chembl_id": "CHEMBL221692", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "405.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ADOPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830163", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETYLPYRIDINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830163, "molecule_chembl_id": "CHEMBL2003538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.01", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CETYLPYRIDINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834864", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834864, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830166", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORACARBEF", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830166, "molecule_chembl_id": "CHEMBL1013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.77", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORACARBEF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829860", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829860, "molecule_chembl_id": "CHEMBL1592663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.54", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIZOTYLINE MALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEVIMELINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834668, "molecule_chembl_id": "CHEMBL2218917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.79", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEVIMELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1OC2(CS1)CN1CCC2CC1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829969", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROTHIXENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829969, "molecule_chembl_id": "CHEMBL1256658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.33", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CHLORPROTHIXENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830738", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830738, "molecule_chembl_id": "CHEMBL165084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.27", "alogp": "-3.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-ACETYLNEURAMINIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830350", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830350, "molecule_chembl_id": "CHEMBL1345380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.40", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROGLUMIDE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829980", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIROFIBAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829980, "molecule_chembl_id": "CHEMBL3189072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.08", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIROFIBAN.HCL MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835451", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANETHOLTRITHION", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835451, "molecule_chembl_id": "CHEMBL178862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anethole-trithione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=S)ss2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833526", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833526, "molecule_chembl_id": "CHEMBL3906778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WDR5-0103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831654", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831654, "molecule_chembl_id": "CHEMBL485210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(COc2cccc(/C=C3\\C(=O)NN(c4ccccc4)C3=O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836529", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836529, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acitretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833622", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASCORBIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833622, "molecule_chembl_id": "CHEMBL196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ASCORBIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827203", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.42", "bao_label": "organism-based format", "molecule_pref_name": "LUSUTROMBOPAG", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827203, "molecule_chembl_id": "CHEMBL2107831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.56", "alogp": "8.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lusutrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3780.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\\C)C(=O)O)c(Cl)c3)n2)c1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831682", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831682, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CRISABOROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828289", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E324", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828289, "molecule_chembl_id": "CHEMBL172064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.31", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethoxyquin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6516", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2c(c1)C(C)=CC(C)(C)N2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834215, "molecule_chembl_id": "CHEMBL4303351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETP-45658"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828767", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPICILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828767, "molecule_chembl_id": "CHEMBL1200758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ampicillin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829521", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOTEPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829521, "molecule_chembl_id": "CHEMBL671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.22", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIOTEPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=P(N1CC1)(N1CC1)N1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828799", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINOCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828799, "molecule_chembl_id": "CHEMBL1200881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.94", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Minocycline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834222", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834222, "molecule_chembl_id": "CHEMBL4303286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2886721"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@@H]2CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829527", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORDEFRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829527, "molecule_chembl_id": "CHEMBL677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVONORDEFRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829473", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829473, "molecule_chembl_id": "CHEMBL20963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.57", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-216641"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828760", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828760, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ritonavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828951", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHROMOCARB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828951, "molecule_chembl_id": "CHEMBL83628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.15", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chromocarb"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04353", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828793", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOBUTAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828793, "molecule_chembl_id": "CHEMBL1200418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dobutamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04461", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836079", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCORAFENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836079, "molecule_chembl_id": "CHEMBL3301612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.02", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LGX818"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2561", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOPRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831215, "molecule_chembl_id": "CHEMBL399510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.25", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BROMOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835177", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILEUTON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835177, "molecule_chembl_id": "CHEMBL93", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zileuton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831724", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN AG 879", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831724, "molecule_chembl_id": "CHEMBL539947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.47", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN AG 879 (AG 879)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831726", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831726, "molecule_chembl_id": "CHEMBL558805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.44", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZTROPINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831730", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLIFENACIN SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831730, "molecule_chembl_id": "CHEMBL1200803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.56", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOLIFENACIN SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831082", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAGEDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831082, "molecule_chembl_id": "CHEMBL1256292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.55", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMAGEDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838688", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838688, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.151", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830520", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830520, "molecule_chembl_id": "CHEMBL541543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.99", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-37883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(/N=C(\\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830731", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830731, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPRIFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830712", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAC-IBIPINABANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830712, "molecule_chembl_id": "CHEMBL158784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLV-319-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831438", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831438, "molecule_chembl_id": "CHEMBL472694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.25", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NCS-382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C1\\CCCc2ccccc2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831398", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831398, "molecule_chembl_id": "CHEMBL462997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831319", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERGOCALCIFEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831319, "molecule_chembl_id": "CHEMBL1536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.66", "alogp": "7.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SID57264355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835998", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMSIROLIMUS", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835998, "molecule_chembl_id": "CHEMBL1201182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1030.30", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Temsirolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4599", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836000", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR ALAFENAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836000, "molecule_chembl_id": "CHEMBL2107825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.47", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tenofovir Alafenamide (GS-7340)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831132", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLAPREZINC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831132, "molecule_chembl_id": "CHEMBL242948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CARNOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836207", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASTERONE SULFURIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836207, "molecule_chembl_id": "CHEMBL259898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.50", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dehydroepiandrosterone-sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1405", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831784", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERSIVIRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831784, "molecule_chembl_id": "CHEMBL571987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.36", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LERSIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830979", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830979, "molecule_chembl_id": "CHEMBL379761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.87", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-FPR-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831942", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPICASTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831942, "molecule_chembl_id": "CHEMBL536282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.82", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEPICASTAT (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1cnc(S)n1[C@H]1CCc2c(F)cc(F)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836189", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STEPRONIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836189, "molecule_chembl_id": "CHEMBL2107531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "stepronin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(SC(=O)c1cccs1)C(=O)NCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831401", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARINGIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831401, "molecule_chembl_id": "CHEMBL451532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.54", "alogp": "-1.17", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NARINGIN (NARINGOSIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836273", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HARRINGTONINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836273, "molecule_chembl_id": "CHEMBL433257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "harringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836275", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836275, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hexachlorophene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5286", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838822", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "HERG", "pchembl_value": "5.60", "bao_label": "cell membrane format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303779", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL240", "activity_id": 18838822, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": "Cell membranes", "cell_chembl_id": "CHEMBL3307715", "assay_cell_type": "HEK293", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2511.89", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells", "bao_format": "BAO_0000249"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831143, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TELAPREVIR (VX-950)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836342", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHAZOLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836342, "molecule_chembl_id": "CHEMBL19", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methazolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.146", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831530", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831530, "molecule_chembl_id": "CHEMBL446084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORFLUOXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831379", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAY-11-7085", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831379, "molecule_chembl_id": "CHEMBL270299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831107", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831107, "molecule_chembl_id": "CHEMBL1453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIGITOXIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831302", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-INDOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831302, "molecule_chembl_id": "CHEMBL264931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835983", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPHENAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835983, "molecule_chembl_id": "CHEMBL1109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfaphenazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831436", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831436, "molecule_chembl_id": "CHEMBL1568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.24", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUDARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836266", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRISEOFULVIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836266, "molecule_chembl_id": "CHEMBL562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.77", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "griseofulvin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06768", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831439", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831439, "molecule_chembl_id": "CHEMBL472212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.51", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-431396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836270", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836270, "molecule_chembl_id": "CHEMBL821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "59.07", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2278", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836373", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANOFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836373, "molecule_chembl_id": "CHEMBL2106153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.49", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danofloxacin Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01486", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831128", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831128, "molecule_chembl_id": "CHEMBL243001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YIL-781"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831508", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIMONIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831508, "molecule_chembl_id": "CHEMBL517449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.52", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIMONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831336", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831336, "molecule_chembl_id": "CHEMBL259551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.35", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR-180204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836041", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANEXAMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836041, "molecule_chembl_id": "CHEMBL877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.21", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tranexamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2997", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831517", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831517, "molecule_chembl_id": "CHEMBL494480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADL5859 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836367", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFOGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836367, "molecule_chembl_id": "CHEMBL2105711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tofogliflozin(CSG 452)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02965", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827378", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.19", "bao_label": "organism-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827378, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6410.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839028", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-VERAPAMIL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839028, "molecule_chembl_id": "CHEMBL36148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Verapamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839003", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": "INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMCAZOLE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839003, "molecule_chembl_id": "CHEMBL275707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.47", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "269153.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838820", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M4", "pchembl_value": "5.26", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303776", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1821", "activity_id": 18838820, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5495.41", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.48", "sei": "10.87", "bei": "15.66", "le": "0.31"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835903", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICYCLOMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835903, "molecule_chembl_id": "CHEMBL1123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.49", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dicyclomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831033", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831033, "molecule_chembl_id": "CHEMBL218071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.45", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-798,106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830916", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARENICLINE TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830916, "molecule_chembl_id": "CHEMBL2062259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.35", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARENICLINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831136", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831136, "molecule_chembl_id": "CHEMBL231884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.55", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "DIOSMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831110", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831110, "molecule_chembl_id": "CHEMBL231616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.25", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1ncccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831393", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831393, "molecule_chembl_id": "CHEMBL1522836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.37", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BUCLADESINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836052", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIOXSALEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836052, "molecule_chembl_id": "CHEMBL1475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trioxsalen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.006457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831903", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TULOBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831903, "molecule_chembl_id": "CHEMBL1256478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.20", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TULOBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831642, "molecule_chembl_id": "CHEMBL1201138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LEUCOVORIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831881", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Ro-281675", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831881, "molecule_chembl_id": "CHEMBL1096435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.52", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO 28-1675"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832078", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARECOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832078, "molecule_chembl_id": "CHEMBL1206690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PARECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831732", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831732, "molecule_chembl_id": "CHEMBL551505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXO-IWR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831967", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMENHYDRINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831967, "molecule_chembl_id": "CHEMBL1200406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.97", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DIMENHYDRINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831485", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTETAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831485, "molecule_chembl_id": "CHEMBL474579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.63", "alogp": "-1.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOTETAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838947", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M2", "pchembl_value": "4.62", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303774", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL211", "activity_id": 18838947, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23988.33", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.47", "sei": "15.78", "bei": "16.36", "le": "0.30"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831969", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831969, "molecule_chembl_id": "CHEMBL1200438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.72", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TIOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831605", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMAPUNIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831605, "molecule_chembl_id": "CHEMBL513922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EMAPUNIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831540", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831540, "molecule_chembl_id": "CHEMBL474991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.63", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-207024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827209", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OUABAIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827209, "molecule_chembl_id": "CHEMBL1889436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "728.78", "alogp": "-1.51", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Ouabain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831599", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831599, "molecule_chembl_id": "CHEMBL510698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.67", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-0070907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831408", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPHOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831408, "molecule_chembl_id": "CHEMBL504760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-CAMPHOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836286", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDEBENONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836286, "molecule_chembl_id": "CHEMBL252556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idebenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832093", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832093, "molecule_chembl_id": "CHEMBL1609430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "83.52", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "METHOXYAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839043", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839043, "molecule_chembl_id": "CHEMBL4303784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.03", "alogp": "1.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ternatin 4 (DA3)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "128.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C(=O)C(C(C)CC)NC(=O)C(C(O)C(C)C)NC(=O)C2CCCCN2C(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838897", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "PARITAL/INCONCLUSIVE PARTIAL INHIBITION, INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838897, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831947", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831947, "molecule_chembl_id": "CHEMBL541400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.33", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY 61-3606 (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831949", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831949, "molecule_chembl_id": "CHEMBL543763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.85", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIFEMELANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCCOc1ccccc1Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831950", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIBEGRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831950, "molecule_chembl_id": "CHEMBL545437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AMIBEGRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833810", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BLEOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833810, "molecule_chembl_id": "CHEMBL3085504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1513.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "BLEOMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833183", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833183, "molecule_chembl_id": "CHEMBL2419490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.55", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828481", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828481, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833102", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABAMETAPIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833102, "molecule_chembl_id": "CHEMBL2205807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.24", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ABAMETAPIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(C)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828569", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOXYBENZAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828569, "molecule_chembl_id": "CHEMBL1200787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenoxybenzamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828571", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROTAMITON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828571, "molecule_chembl_id": "CHEMBL1200709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.28", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Crotamiton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C(=O)N(CC)c1ccccc1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833357", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833357, "molecule_chembl_id": "CHEMBL3349991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.28", "alogp": "-1.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-(4-CARBOXYPHENYL)-ALPHA-D-MANNOPYRANOSYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828582", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXFENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828582, "molecule_chembl_id": "CHEMBL42442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Oxfendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4691", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833285", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BGT-226", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833285, "molecule_chembl_id": "CHEMBL3545096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.61", "alogp": "4.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NVP-BGT226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828098", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828098, "molecule_chembl_id": "CHEMBL1200988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methantheline bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5061", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828491", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828491, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mifepristone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833194", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LCL-161", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833194, "molecule_chembl_id": "CHEMBL2431768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LCL161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828494", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828494, "molecule_chembl_id": "CHEMBL1406274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.33", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Chlorprothixene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833198, "molecule_chembl_id": "CHEMBL2441340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.46", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2656157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833203", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833203, "molecule_chembl_id": "CHEMBL3039201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1701.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "TANNIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833207", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECERNOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833207, "molecule_chembl_id": "CHEMBL3039513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.39", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833208", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELBASVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833208, "molecule_chembl_id": "CHEMBL3039514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "882.03", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ELBASVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828594", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XAMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828594, "molecule_chembl_id": "CHEMBL1329567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "794.86", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Xamoterol hemifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833350", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833350, "molecule_chembl_id": "CHEMBL3348846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.58", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD4547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@H](C)C4)cc3)n[nH]2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833351", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPELOPSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833351, "molecule_chembl_id": "CHEMBL3348861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.25", "alogp": "0.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DIHYDROMYRICETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828651", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIFINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828651, "molecule_chembl_id": "CHEMBL1213353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.38", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Prifinium Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08951", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)C1C.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833356", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833356, "molecule_chembl_id": "CHEMBL3349607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1047.23", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PASIREOTIDE (DITRIFLUOROACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828026", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828026, "molecule_chembl_id": "CHEMBL1498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Deoxycorticosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827934", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827934, "molecule_chembl_id": "CHEMBL471792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.84", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Atovaquone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1006", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832368", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832368, "molecule_chembl_id": "CHEMBL1421016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.46", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-152804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828672", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828672, "molecule_chembl_id": "CHEMBL4303427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.43", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cephradine monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828674", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPIROME", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828674, "molecule_chembl_id": "CHEMBL65794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.59", "alogp": "-1.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefpirome"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828680", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELETRIPTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828680, "molecule_chembl_id": "CHEMBL1510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.53", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eletriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828549", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828549, "molecule_chembl_id": "CHEMBL1230004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S,-) Atenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833690", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833690, "molecule_chembl_id": "CHEMBL293375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.44", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESTROPIPATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828558", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROGLITAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828558, "molecule_chembl_id": "CHEMBL408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.55", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Troglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828516", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUTILIDE FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828516, "molecule_chembl_id": "CHEMBL2355456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "885.24", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibutilide fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833219", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833219, "molecule_chembl_id": "CHEMBL3092536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828523", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXANDROLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828523, "molecule_chembl_id": "CHEMBL1200436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxandrolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1105", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828524", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOCONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828524, "molecule_chembl_id": "CHEMBL1571863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Isoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.003859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833229", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833229, "molecule_chembl_id": "CHEMBL3108827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1015.31", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AZD5582"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832382", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTHYMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832382, "molecule_chembl_id": "CHEMBL1441646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.67", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROTHYMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(C)C)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827682", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827682, "molecule_chembl_id": "CHEMBL4303534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1461.43", "alogp": "-7.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Dihydrostreptomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827686", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORNIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827686, "molecule_chembl_id": "CHEMBL1449676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.63", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ornidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CCl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832478", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832478, "molecule_chembl_id": "CHEMBL1527815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISOPROLOL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833830", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALUBRINAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833830, "molecule_chembl_id": "CHEMBL180127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.82", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SALUBRINAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828643", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828643, "molecule_chembl_id": "CHEMBL2360601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eperisone HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828988", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.45", "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828988, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35370.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829097", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829097, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GATIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828647", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMSULOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828647, "molecule_chembl_id": "CHEMBL1200914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.98", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)-Tamsulosin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7987", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833353", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESFESOTERODINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833353, "molecule_chembl_id": "CHEMBL3348932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.50", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-HYDROXYMETHYL TOLTERODINE (PNU 200577)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832822", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832822, "molecule_chembl_id": "CHEMBL2023158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-1892802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827684", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISONIAZID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827684, "molecule_chembl_id": "CHEMBL64", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isoniazid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccncc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833335", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-7420", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833335, "molecule_chembl_id": "CHEMBL3330650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.22", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829124", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOXAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829124, "molecule_chembl_id": "CHEMBL453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832964", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFLOQUALONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832964, "molecule_chembl_id": "CHEMBL2105918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.31", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AFLOQUALONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832974", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIACETAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832974, "molecule_chembl_id": "CHEMBL2106185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIACETAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833278", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833278, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828096", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPRYLCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828096, "molecule_chembl_id": "CHEMBL2104800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meprylcaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)(C)COC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833349", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833349, "molecule_chembl_id": "CHEMBL3348842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.67", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOVIROBUXIN D (BEBUXINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832539", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832539, "molecule_chembl_id": "CHEMBL1611192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.61", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1cc(O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832621", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832621, "molecule_chembl_id": "CHEMBL1684242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.33", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0360172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832722", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITHIAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832722, "molecule_chembl_id": "CHEMBL1872946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.18", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITHIAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836110", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.18399299,0.07375604)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METERGOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836110, "molecule_chembl_id": "CHEMBL19215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836120", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836120, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metyrapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836234", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXINIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836234, "molecule_chembl_id": "CHEMBL1631694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.32", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "fexinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1901", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831367", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831367, "molecule_chembl_id": "CHEMBL403183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836239", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLIBANSERIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836239, "molecule_chembl_id": "CHEMBL231068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flibanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831491", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831491, "molecule_chembl_id": "CHEMBL473186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.33", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-127445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832583", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832583, "molecule_chembl_id": "CHEMBL1625681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.35", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828453", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828453, "molecule_chembl_id": "CHEMBL1371200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Canrenoic acid potassium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827620", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAMAZEPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827620, "molecule_chembl_id": "CHEMBL108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbamazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04708", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832327", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832327, "molecule_chembl_id": "CHEMBL1613220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.47", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMN-082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832415", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832415, "molecule_chembl_id": "CHEMBL1473875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORCYCLIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827607", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROLEANDOMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827607, "molecule_chembl_id": "CHEMBL564085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.98", "alogp": "3.62", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Troleandomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02019", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827718", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIBOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827718, "molecule_chembl_id": "CHEMBL2103774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tibolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3794", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832198, "molecule_chembl_id": "CHEMBL1600780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.86", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-723C86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832220", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832220, "molecule_chembl_id": "CHEMBL1259058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSI-7976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827606", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPSONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827606, "molecule_chembl_id": "CHEMBL1043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.009604", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832314", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832314, "molecule_chembl_id": "CHEMBL1368758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.29", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827801", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCAINAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827801, "molecule_chembl_id": "CHEMBL605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Procainamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2557", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832426", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832426, "molecule_chembl_id": "CHEMBL1478530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.36", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROCATEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827726", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827726, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norfloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832435", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832435, "molecule_chembl_id": "CHEMBL1486475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.30", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFURTIMOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832244", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832244, "molecule_chembl_id": "CHEMBL1316368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.38", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTICAINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832446", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832446, "molecule_chembl_id": "CHEMBL1494883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.48", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PROFENAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827744", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827744, "molecule_chembl_id": "CHEMBL842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorothiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02301", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832526", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832526, "molecule_chembl_id": "CHEMBL2361429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.63", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINSIDOMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c[n+](N2CCOCC2)no1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827497", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827497, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbidopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832201", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENCLONINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832201, "molecule_chembl_id": "CHEMBL1256351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.64", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENCLONINE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827498", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827498, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(-) Emtricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827499", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEMECARIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827499, "molecule_chembl_id": "CHEMBL1200514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "716.60", "alogp": "6.76", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Demecarium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832206", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832206, "molecule_chembl_id": "CHEMBL1256672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.36", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CV-1808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838931", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "8.70", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838931, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.995", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "3.85", "sei": "55.38", "bei": "23.48", "le": "0.44"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836392", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAFUTIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836392, "molecule_chembl_id": "CHEMBL1742461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lafutidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2245", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])Cc1ccco1)NC/C=C\\COc1cc(CN2CCCCC2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833765, "molecule_chembl_id": "CHEMBL1435687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.68", "alogp": "7.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DIHYDROTACHYSTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(O)C/C1=C\\C=C1/CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828890", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828890, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831650", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERADIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831650, "molecule_chembl_id": "CHEMBL514409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.67", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HESPERADIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836525", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836525, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zalcitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1927", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828898", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828898, "molecule_chembl_id": "CHEMBL2106126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.01", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Delapril Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1107", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833605", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STEPRONIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833605, "molecule_chembl_id": "CHEMBL2107531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STEPRONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(SC(=O)c1cccs1)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834076", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEGARELIX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834076, "molecule_chembl_id": "CHEMBL415606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1632.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DEGARELIX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833782", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOCETAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833782, "molecule_chembl_id": "CHEMBL1200770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.96", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IOCETAMIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833783", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833783, "molecule_chembl_id": "CHEMBL4303514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.46", "alogp": "6.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(1E)-1-(2-HYDROXY-5-METHYLPHENYL)-1-DODECANONE OXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(N=O)c1cc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829381", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRILAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829381, "molecule_chembl_id": "CHEMBL577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENALAPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829383", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSINOPRILAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829383, "molecule_chembl_id": "CHEMBL581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.50", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FOSINOPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834138", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPINASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834138, "molecule_chembl_id": "CHEMBL1106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPINASTINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCC2c3ccccc3Cc3ccccc3N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833083", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833083, "molecule_chembl_id": "CHEMBL2178100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLPG0492"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832503", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832503, "molecule_chembl_id": "CHEMBL1562779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KD-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829093", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829093, "molecule_chembl_id": "CHEMBL28", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID17389511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838849", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838849, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831691", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831691, "molecule_chembl_id": "CHEMBL498270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827375", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.79", "bao_label": "organism-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827375, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole Vetranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832079", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832079, "molecule_chembl_id": "CHEMBL1208118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.47", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-06126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(S(=O)(=O)O)cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832080", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELAGOLIX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832080, "molecule_chembl_id": "CHEMBL1208155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.60", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ELAGOLIX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827188", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.87", "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROGAMBOGIC ACID", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827188, "molecule_chembl_id": "CHEMBL1526240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "630.78", "alogp": "7.03", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Dihydrogambogic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13370.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C/C=C(/C)C(=O)O)C4O)C3=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838844", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838844, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831894", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831894, "molecule_chembl_id": "CHEMBL1086580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.32", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XAV-939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838846", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838846, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9671", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832505", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832505, "molecule_chembl_id": "CHEMBL1564377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.12", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-966-(S)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CCN(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834190", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834190, "molecule_chembl_id": "CHEMBL4303309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.63", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CX-5461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828997", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828997, "molecule_chembl_id": "CHEMBL1200692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.60", "alogp": "4.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "olmesartan medoxomil ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833435", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833435, "molecule_chembl_id": "CHEMBL3560504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.39", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXACYCLOHEXADECAN-2-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCCCCCCCCCCCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833713", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833713, "molecule_chembl_id": "CHEMBL3039137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.52", "alogp": "-7.27", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "HYGROMYCIN B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H]3OC4(O[C@@H]3[C@@H]2O)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833884", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833884, "molecule_chembl_id": "CHEMBL246957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KF-38789"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831049", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SISOMICIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831049, "molecule_chembl_id": "CHEMBL2146085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.61", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SISOMICIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829615", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829615, "molecule_chembl_id": "CHEMBL1330764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.52", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-12935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835931", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835931, "molecule_chembl_id": "CHEMBL808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.69", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Econazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835932", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDOXABAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835932, "molecule_chembl_id": "CHEMBL1269025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.07", "alogp": "1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Edoxaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1963", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835937", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMEDASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835937, "molecule_chembl_id": "CHEMBL594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.42", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "emedastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831644", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831644, "molecule_chembl_id": "CHEMBL523577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.64", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COR-170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccccc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833995", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833995, "molecule_chembl_id": "CHEMBL4303325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.36", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-METHOXYPHENYL 2-(4-ISOBUTYLPHENYL)PROPANOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(OC(=O)c2cccs2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831631", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831631, "molecule_chembl_id": "CHEMBL478306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH1(BRD-K4477)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831711", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831711, "molecule_chembl_id": "CHEMBL562551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.70", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0361737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccccn2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834252", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834252, "molecule_chembl_id": "CHEMBL4303377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.20", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL-2-(CARBAMOYLOXY)BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1OC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833163", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833163, "molecule_chembl_id": "CHEMBL2385591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-212854"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828807", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAQUINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828807, "molecule_chembl_id": "CHEMBL282042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.96", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Saquinavir mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829574", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINALOOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829574, "molecule_chembl_id": "CHEMBL25306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINALOOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(O)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836095", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANIDIPINE 6300", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836095, "molecule_chembl_id": "CHEMBL1085699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "manidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831198, "molecule_chembl_id": "CHEMBL429298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.83", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831203", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831203, "molecule_chembl_id": "CHEMBL250428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.26", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836010", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEFYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836010, "molecule_chembl_id": "CHEMBL70246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "-1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Theophylline-7-acetic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1779", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831316", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLSULFONPHTHALEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831316, "molecule_chembl_id": "CHEMBL258921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.38", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOLSULFONPHTHALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835996", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELMISARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835996, "molecule_chembl_id": "CHEMBL1017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.63", "alogp": "7.26", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Telmisartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831206", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFOGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831206, "molecule_chembl_id": "CHEMBL250172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RESIBUFOGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828298", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOMEPIRAC SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828298, "molecule_chembl_id": "CHEMBL266459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.72", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zomepirac sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833004", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERUTROBAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833004, "molecule_chembl_id": "CHEMBL2107786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.92", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TERUTROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828304", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROFENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828304, "molecule_chembl_id": "CHEMBL1368313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.93", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Drofenine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.499", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828307", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROSARTAN MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828307, "molecule_chembl_id": "CHEMBL1200987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eprosartan mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0485", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828596", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOCAPROIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828596, "molecule_chembl_id": "CHEMBL1046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aminocaproic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828600", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHENAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828600, "molecule_chembl_id": "CHEMBL1201270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "140.19", "alogp": "-1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methenamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2897", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1N2CN3CN1CN(C2)C3", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828607", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROFLAVINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828607, "molecule_chembl_id": "CHEMBL1964546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Proflavine hemisulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1779", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834306", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834306, "molecule_chembl_id": "CHEMBL4303151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT4165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=Cc2cccnc2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834308", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-1530", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834308, "molecule_chembl_id": "CHEMBL1980391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.79", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829610", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829610, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MUPIROCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833983", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833983, "molecule_chembl_id": "CHEMBL4303318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SIMEPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@H]3CC4C(=O)N(C)CCCC/C=C\\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833426", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOXTALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833426, "molecule_chembl_id": "CHEMBL3545366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.30", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VOXTALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831322", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831322, "molecule_chembl_id": "CHEMBL439259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.80", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PQ-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831323", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831323, "molecule_chembl_id": "CHEMBL411481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.40", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY320135"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(C#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836195", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836195, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vandetanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835332", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITOPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835332, "molecule_chembl_id": "CHEMBL2107457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.44", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Itopride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834979", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834979, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bestatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1422", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828938", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSPIRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828938, "molecule_chembl_id": "CHEMBL1200399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.97", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Buspirone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833812", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833812, "molecule_chembl_id": "CHEMBL68406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.70", "alogp": "-8.88", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "VIOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H](C2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829490", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMATRIPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829490, "molecule_chembl_id": "CHEMBL128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.41", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUMATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829103", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORBINIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829103, "molecule_chembl_id": "CHEMBL266497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SORBINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829613", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829613, "molecule_chembl_id": "CHEMBL27577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832712", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRACINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832712, "molecule_chembl_id": "CHEMBL1851943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.49", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB939 (PRACINOSTAT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829627", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829627, "molecule_chembl_id": "CHEMBL26019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.24", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMOVERATRYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833396", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833396, "molecule_chembl_id": "CHEMBL3426805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.32", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MC1568"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827840", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPROGIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827840, "molecule_chembl_id": "CHEMBL1289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloprogin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09794", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cc(Cl)c(OCC#CI)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829863", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUP-697", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829863, "molecule_chembl_id": "CHEMBL42485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.32", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DUP-697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829670", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829670, "molecule_chembl_id": "CHEMBL31344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.11", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-29951"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834370", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZOLOACRIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834370, "molecule_chembl_id": "CHEMBL118841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.41", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PYRAZOLOACRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828941", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828941, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ibudilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828611", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXOPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828611, "molecule_chembl_id": "CHEMBL19299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "loxoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828612", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEDOBEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828612, "molecule_chembl_id": "CHEMBL112687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acedoben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834212", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834212, "molecule_chembl_id": "CHEMBL4303173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "835.09", "alogp": "2.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DIRITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828788", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828788, "molecule_chembl_id": "CHEMBL1314302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.93", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Biperiden hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1C[C@@H]2C=C[C@H]1C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829716", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGENIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829716, "molecule_chembl_id": "CHEMBL284616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.31", "alogp": "-0.65", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CHLOROGENIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828764", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CISATRACURIUM BESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828764, "molecule_chembl_id": "CHEMBL1200641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1243.50", "alogp": "8.07", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Cisatracurium besylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829515", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829515, "molecule_chembl_id": "CHEMBL1569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMANTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834251", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834251, "molecule_chembl_id": "CHEMBL4303389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.44", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ILGINATINIB HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc(-c2cnn(C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834592", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834592, "molecule_chembl_id": "CHEMBL1394514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-CCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828363", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOCITABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828363, "molecule_chembl_id": "CHEMBL2106589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.80", "alogp": "5.62", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Enocitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829552", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURVALANOLA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829552, "molecule_chembl_id": "CHEMBL23327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURVALANOL-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828813", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REBAMIPIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828813, "molecule_chembl_id": "CHEMBL1697771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.79", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Rebamipide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04146", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829030", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829030, "molecule_chembl_id": "CHEMBL1435413", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinidine hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828815", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBANDRONATE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828815, "molecule_chembl_id": "CHEMBL1201008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.21", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ibandronate sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004194", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831224", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831224, "molecule_chembl_id": "CHEMBL255036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A 922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831125", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831125, "molecule_chembl_id": "CHEMBL244559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG 100713"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831320", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831320, "molecule_chembl_id": "CHEMBL259388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.59", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "R-59022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831133", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMONONETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831133, "molecule_chembl_id": "CHEMBL242341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FORMONONETIN (FORMONONETOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836371", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREMELANOTIDE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836371, "molecule_chembl_id": "CHEMBL4297533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1085.23", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bremelanotide (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836317", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACTULOSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836317, "molecule_chembl_id": "CHEMBL296306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "lactulose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1124", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836575", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.231891094,0.160471653)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOFOVIR DISOPROXIL FUMARATE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836575, "molecule_chembl_id": "CHEMBL1486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.52", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tenofovir Disoproxil Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1962", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827940", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBENECID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827940, "molecule_chembl_id": "CHEMBL897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.36", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Probenecid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2093", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834343", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834343, "molecule_chembl_id": "CHEMBL4303674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.83", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTB06584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829211", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829211, "molecule_chembl_id": "CHEMBL541521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.80", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIDOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833981", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REV-5901", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833981, "molecule_chembl_id": "CHEMBL8747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.45", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "REV-5901 / L-655,238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "113.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836096", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAXACALCITOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836096, "molecule_chembl_id": "CHEMBL333950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.62", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "maxacalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836102", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINIMETINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836102, "molecule_chembl_id": "CHEMBL3187723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.23", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEK162"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835990", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835990, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830949", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830949, "molecule_chembl_id": "CHEMBL202887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW788388"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCOCC1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831177", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINPIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831177, "molecule_chembl_id": "CHEMBL1256574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINPIROL-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832439", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832439, "molecule_chembl_id": "CHEMBL1488819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "-2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DYPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827740", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOGLUTETHIMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827740, "molecule_chembl_id": "CHEMBL488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glutethimide, para-amino"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccc(N)cc2)CCC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833753", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENINDAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833753, "molecule_chembl_id": "CHEMBL278398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENINDAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833768", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833768, "molecule_chembl_id": "CHEMBL454950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834069", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834069, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORDIHYDROGUAIARETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829074", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXSALEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829074, "molecule_chembl_id": "CHEMBL416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2cc2ccc(=O)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833775", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833775, "molecule_chembl_id": "CHEMBL3039466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829078", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAZOLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829078, "molecule_chembl_id": "CHEMBL20", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.25", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AAZ, Acetazolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834136", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNIFLUMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834136, "molecule_chembl_id": "CHEMBL1081506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.34", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALNIFLUMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829437", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROXYFAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829437, "molecule_chembl_id": "CHEMBL19173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.28", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROXYFAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(COCCCc2c[nH]cn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832997", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIMAPROST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832997, "molecule_chembl_id": "CHEMBL2107456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LIMAPROST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835653", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROMETHOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835653, "molecule_chembl_id": "CHEMBL1200600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluorometholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838772", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838772, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831189", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4'-AZIDOCYTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831189, "molecule_chembl_id": "CHEMBL393857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "-1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-1479"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833532", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833532, "molecule_chembl_id": "CHEMBL3931570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DC-260126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835328", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOBENGUANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835328, "molecule_chembl_id": "CHEMBL818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.09", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "iobenguane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.003502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCc1cccc(I)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834579", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834579, "molecule_chembl_id": "CHEMBL4303636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOPOLRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C=C1NN(Cc2nc3cc(C(F)(F)F)ccc3s2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834244", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834244, "molecule_chembl_id": "CHEMBL4173075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.35", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PT-2385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834221", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834221, "molecule_chembl_id": "CHEMBL4303499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.53", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CC4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829142", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONDANSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829142, "molecule_chembl_id": "CHEMBL3186492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.86", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ONDANSETRON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833672", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXSUPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833672, "molecule_chembl_id": "CHEMBL559180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOXSUPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829881", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERBERINE CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829881, "molecule_chembl_id": "CHEMBL12089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.82", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833739", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833739, "molecule_chembl_id": "CHEMBL228043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.01", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LFM-A13"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1cc(Br)ccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829591", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORINDIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829591, "molecule_chembl_id": "CHEMBL278519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.69", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829601", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUETIAPINE FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829601, "molecule_chembl_id": "CHEMBL1200911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.59", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUETIAPINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834344", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADODIAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834344, "molecule_chembl_id": "CHEMBL1200346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "GADODIAMIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829603", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829603, "molecule_chembl_id": "CHEMBL27441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AJ76-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829024", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OXPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303822", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL612558", "activity_id": 18829024, "molecule_chembl_id": "CHEMBL1200745", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxprenolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835333", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETANSERIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835333, "molecule_chembl_id": "CHEMBL51", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ketanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834419", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN ETHYLSUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834419, "molecule_chembl_id": "CHEMBL1200688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "862.06", "alogp": "2.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ETHYLSUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829519", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRONIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829519, "molecule_chembl_id": "CHEMBL137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METRONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834225", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834225, "molecule_chembl_id": "CHEMBL1314022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.36", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1ccccc1)c1cc(NC)[n+](C)c(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829706", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829706, "molecule_chembl_id": "CHEMBL33240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.28", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LTA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccccc1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829959", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829959, "molecule_chembl_id": "CHEMBL1367565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCTOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829176", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOROLAC TROMETHAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829176, "molecule_chembl_id": "CHEMBL1201124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOROLAC TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834010", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POTASSIUM ANTIMONYL TARTRATE TRIHYDRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834010, "molecule_chembl_id": "CHEMBL1650312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.84", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "ANTIMONYL (POTASSIUM TARTRATE TRIHYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833929", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833929, "molecule_chembl_id": "CHEMBL2011500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.20", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YK-4-279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833931", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833931, "molecule_chembl_id": "CHEMBL143181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.35", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-226600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834087", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834087, "molecule_chembl_id": "CHEMBL3039443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEPHRADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)C2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832706", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832706, "molecule_chembl_id": "CHEMBL1825141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(S)-CRIZOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832513", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832513, "molecule_chembl_id": "CHEMBL1570196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-94253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827811", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827811, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moclobemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827734", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENESIN CARBAMATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827734, "molecule_chembl_id": "CHEMBL607710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.66", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorphensin carbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827900", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827900, "molecule_chembl_id": "CHEMBL4303232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.56", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefotiam hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1079", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834047", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834047, "molecule_chembl_id": "CHEMBL549485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.40", "alogp": "-1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GINKGOLIDE-B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827825", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFRONYL OXALATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827825, "molecule_chembl_id": "CHEMBL1439099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nafronyl oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829105", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUROSEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829105, "molecule_chembl_id": "CHEMBL35", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.75", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FUROSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833886", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833886, "molecule_chembl_id": "CHEMBL3039081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STROPHANTIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CCC2C1=CC(=O)OC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833378", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833378, "molecule_chembl_id": "CHEMBL3393599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.54", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-3576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4cccc(C)c4)cn3)c2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833334", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833334, "molecule_chembl_id": "CHEMBL3329704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.37", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALOPERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C2CCCN[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829127", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACETAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829127, "molecule_chembl_id": "CHEMBL455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832372", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832372, "molecule_chembl_id": "CHEMBL1433489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.40", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KB-R7943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827681", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827681, "molecule_chembl_id": "CHEMBL1275977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "712.73", "alogp": "-8.90", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Neomycin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832394", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832394, "molecule_chembl_id": "CHEMBL1449747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.23", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDIVI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-n2c(=S)[nH]c3ccccc3c2=O)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833281", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833281, "molecule_chembl_id": "CHEMBL3192687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.39", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-083010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828564", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828564, "molecule_chembl_id": "CHEMBL4303306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1422.72", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Bacitracin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833358", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833358, "molecule_chembl_id": "CHEMBL3350262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DCPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828488", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFINPYRAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828488, "molecule_chembl_id": "CHEMBL832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfinpyrazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02521", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833114", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOXAPROP-P-ETHYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833114, "molecule_chembl_id": "CHEMBL2251729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.78", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENOXAPROP-P-ETHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828412", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORCYCLIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828412, "molecule_chembl_id": "CHEMBL1889091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.29", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Chlorcyclizine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8573", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828616", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROXOLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828616, "molecule_chembl_id": "CHEMBL1454910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitroxoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833791", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENESIN CARBAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833791, "molecule_chembl_id": "CHEMBL607710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.66", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPHENSIN-CARBAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827852", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMIVUDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827852, "molecule_chembl_id": "CHEMBL141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lamivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828636", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828636, "molecule_chembl_id": "CHEMBL4303686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.44", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulbenicillin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4594", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H]1C(=O)O.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828638", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828638, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829088", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829088, "molecule_chembl_id": "CHEMBL424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.12", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALICYLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828474", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINACIDIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828474, "molecule_chembl_id": "CHEMBL1200338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.35", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pinacidil monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01526", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N/C(=N\\C#N)Nc1ccncc1)C(C)(C)C.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828626", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828626, "molecule_chembl_id": "CHEMBL1584883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.89", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benactyzine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829104", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829104, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832811", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRIFLAVINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832811, "molecule_chembl_id": "CHEMBL1977761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ACRIFLAVINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "69.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831963", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENTIROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831963, "molecule_chembl_id": "CHEMBL1200368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENTIROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831964", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOYL PEROXIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831964, "molecule_chembl_id": "CHEMBL1200370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOYL PEROXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827264", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827264, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836335", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOTEPREDNOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836335, "molecule_chembl_id": "CHEMBL1201389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.42", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "loteprednol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838929", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M5", "pchembl_value": "5.45", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303777", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL2035", "activity_id": 18838929, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3548.13", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "0.60", "sei": "34.69", "bei": "14.71", "le": "0.28"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831666", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYTOLUIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831666, "molecule_chembl_id": "CHEMBL448399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYTOLUIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838920", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838920, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.023", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827268", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827268, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tilorone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19670.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827381", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827381, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "390.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831271", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BESIGOMSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831271, "molecule_chembl_id": "CHEMBL403578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCHISANDROL B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836150", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NETILMICIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836150, "molecule_chembl_id": "CHEMBL1572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "-3.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "netilmicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832132", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832132, "molecule_chembl_id": "CHEMBL1231358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BLEBBISTATIN-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836511", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURANTOIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836511, "molecule_chembl_id": "CHEMBL572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.16", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitrofurantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831140", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICUMAROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831140, "molecule_chembl_id": "CHEMBL1466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.30", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICUMAROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836015", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THONZYLAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836015, "molecule_chembl_id": "CHEMBL1623738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.38", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thonzylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ncccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836017", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIANEPTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836017, "molecule_chembl_id": "CHEMBL1289110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.96", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "tianeptine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1303", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827387", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827387, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20020.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832096", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERAMPANEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832096, "molecule_chembl_id": "CHEMBL1214124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.39", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERAMPANEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836016", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAGABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836016, "molecule_chembl_id": "CHEMBL1027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.56", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tiagabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1375", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831954", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNX 5422", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831954, "molecule_chembl_id": "CHEMBL1195136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.54", "alogp": "3.37", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04929113 (SNX-5422)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838909", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE, MAY MAKE IT WORSE?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838909, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831423", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831423, "molecule_chembl_id": "CHEMBL508207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.66", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "C-021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827313", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SALINOMYCIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827313, "molecule_chembl_id": "CHEMBL1208572", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "211.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831594", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831594, "molecule_chembl_id": "CHEMBL464552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.58", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1838705A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831527", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIPADENANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831527, "molecule_chembl_id": "CHEMBL447664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VIPADENANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836224", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESCITALOPRAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836224, "molecule_chembl_id": "CHEMBL1508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "escitalopram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.002404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831250", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL VALERATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831250, "molecule_chembl_id": "CHEMBL1511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ESTRADIOL VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836354", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEKALANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836354, "molecule_chembl_id": "CHEMBL360861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.46", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifekalant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838976", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50 < IC50 BUT CC ONLY GOES TO 25%", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838976, "molecule_chembl_id": "CHEMBL4303785", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1032.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PS3061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.033", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)CC1NC(=O)C(Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CCC#N)OC(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827276", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827276, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836147", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836147, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nelarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831958", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831958, "molecule_chembl_id": "CHEMBL1160131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.34", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PG-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831472", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMOREXANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831472, "molecule_chembl_id": "CHEMBL455136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.57", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "ALMOREXANT (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831239", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCROSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831239, "molecule_chembl_id": "CHEMBL253582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "SUCROSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831753", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831753, "molecule_chembl_id": "CHEMBL575060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-GLUTAMIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831246", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831246, "molecule_chembl_id": "CHEMBL58510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROQUINE DIPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836124", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGLUSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836124, "molecule_chembl_id": "CHEMBL1029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.28", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "miglustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830978", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPHEDRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830978, "molecule_chembl_id": "CHEMBL2146102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPHEDRINE (1R,2S) HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836242", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836242, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fludarabine-phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2705", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836419", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836419, "molecule_chembl_id": "CHEMBL15870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1093", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838925", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M1", "pchembl_value": "4.63", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303090", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL216", "activity_id": 18838925, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23442.29", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "-0.22", "sei": "29.47", "bei": "12.49", "le": "0.23"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836003", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836003, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "terconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831326", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831326, "molecule_chembl_id": "CHEMBL405759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TWS-119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836205", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASABUVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836205, "molecule_chembl_id": "CHEMBL3137312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dasabuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3029", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831167", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYTOSPHINGOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831167, "molecule_chembl_id": "CHEMBL236036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.51", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHYTOSPHINGOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831348", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENATETRENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831348, "molecule_chembl_id": "CHEMBL259223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.66", "alogp": "8.92", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "MENATETRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBIMAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831668, "molecule_chembl_id": "CHEMBL508102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)n1ccn(C)c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838751", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838751, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "302.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838918", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838918, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "285.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827302", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827302, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "176.65", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836425", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALFURAFINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836425, "molecule_chembl_id": "CHEMBL267495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.57", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "nalfurafine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831804", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831804, "molecule_chembl_id": "CHEMBL1945130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.10", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TENOVIN-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836163", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMETHIXENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836163, "molecule_chembl_id": "CHEMBL152408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pimethixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836259", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURAZOLIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836259, "molecule_chembl_id": "CHEMBL1103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "furazolidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1034", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838716", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST CELLS INFECTED GOES UP TO 200%", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838716, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831543", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831543, "molecule_chembl_id": "CHEMBL494325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.13", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMER-28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1ncnc2ccc(Br)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838864", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838864, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "292.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831772", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-256066", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831772, "molecule_chembl_id": "CHEMBL570015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.60", "alogp": "3.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GSK256066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836487", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLTOLUAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836487, "molecule_chembl_id": "CHEMBL1453317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.27", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2811", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1cccc(C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836303", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOLEUCINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836303, "molecule_chembl_id": "CHEMBL1233584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "isoleucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827432", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827432, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.27", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836506", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOBENZAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836506, "molecule_chembl_id": "CHEMBL1201256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.46", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimethobenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1981", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831867", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDAZAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831867, "molecule_chembl_id": "CHEMBL1089221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENDAZAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1nn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836513", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXEMESTANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836513, "molecule_chembl_id": "CHEMBL1200374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Exemestane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830911", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830911, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIVAROXABAN (XARELTO)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832391", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832391, "molecule_chembl_id": "CHEMBL1446716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.76", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SULCONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832593", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TBA-354", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832593, "molecule_chembl_id": "CHEMBL1630563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.35", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TBA-354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832595", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXINIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832595, "molecule_chembl_id": "CHEMBL1631694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.32", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FEXINIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832596", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832596, "molecule_chembl_id": "CHEMBL1642655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-ASK-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828087", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828087, "molecule_chembl_id": "CHEMBL4303519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.04", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pivmecillinam hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828583", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828583, "molecule_chembl_id": "CHEMBL4303574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Norgestimate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3327", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828407", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828407, "molecule_chembl_id": "CHEMBL693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.43", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxacillin sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828666", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828666, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlormidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02569", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828408", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828408, "molecule_chembl_id": "CHEMBL4303538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1131.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Beta-Escin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC=C(C)C(=O)O[C@H]1[C@H](OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)C(O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CCC3(C)[C@]1(C)C[C@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833099", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833099, "molecule_chembl_id": "CHEMBL2204239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.48", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833231", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RELEBACTAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833231, "molecule_chembl_id": "CHEMBL3112741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RELEBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829086", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPIRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829086, "molecule_chembl_id": "CHEMBL25", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ASPIRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829087", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829087, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLUOPERAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833234", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSI-027", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833234, "molecule_chembl_id": "CHEMBL3120215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.45", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OSI-027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828414", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFABENZAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828414, "molecule_chembl_id": "CHEMBL1243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.32", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfabenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828422", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828422, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mupirocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.007946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833128", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833128, "molecule_chembl_id": "CHEMBL2325198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-2327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833137", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833137, "molecule_chembl_id": "CHEMBL2335154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.34", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXF-BD-02"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833145", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILANESIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833145, "molecule_chembl_id": "CHEMBL2347655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FILANESIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828446", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIPIZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828446, "molecule_chembl_id": "CHEMBL1073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glipizide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827974", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLUMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827974, "molecule_chembl_id": "CHEMBL1200570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "-3.36", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Meglumine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08725", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832354", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832354, "molecule_chembl_id": "CHEMBL1410669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TERCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827655", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827655, "molecule_chembl_id": "CHEMBL4303345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.82", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ciprofloxacin hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.007266", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832905", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832905, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AVATROMBOPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832906", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BURAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832906, "molecule_chembl_id": "CHEMBL2103933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BURAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccc1)OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827752", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYCLONINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827752, "molecule_chembl_id": "CHEMBL1200478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dyclonine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.119", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832458", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832458, "molecule_chembl_id": "CHEMBL1514440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIMODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827754", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOTRIMAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827754, "molecule_chembl_id": "CHEMBL104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clotrimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827759", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LABETALOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827759, "molecule_chembl_id": "CHEMBL1200323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.87", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Labetalol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827761", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOTEROL HBR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827761, "molecule_chembl_id": "CHEMBL537445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.27", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenoterol hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832956", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832956, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828255", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828255, "molecule_chembl_id": "CHEMBL4303170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.38", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dichlorisone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833028", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833028, "molecule_chembl_id": "CHEMBL3182790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.95", "alogp": "-1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROCLOSENE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832587", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROBALZOTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832587, "molecule_chembl_id": "CHEMBL1628569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.39", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ROBALZOTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828202", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVOBENZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828202, "molecule_chembl_id": "CHEMBL1200522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.39", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Avobenzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827896", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMAQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827896, "molecule_chembl_id": "CHEMBL43128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.34", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Primaquine diphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6817", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833196", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833196, "molecule_chembl_id": "CHEMBL2436978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URMC-099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828588", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828588, "molecule_chembl_id": "CHEMBL4303421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.58", "alogp": "-6.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Apramycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C(O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)OC2[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833346", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833346, "molecule_chembl_id": "CHEMBL3341861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.89", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSNCBAM-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832991", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832991, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIMETHYL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828391", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828391, "molecule_chembl_id": "CHEMBL4303588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "855.41", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Etiroxate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3664", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)(N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833215, "molecule_chembl_id": "CHEMBL3040440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PND-1186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833165", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETIPIPRANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833165, "molecule_chembl_id": "CHEMBL2386081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.43", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SETIPIPRANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828401", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828401, "molecule_chembl_id": "CHEMBL1447383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.29", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Picrotoxinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1C2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34OC3C[C@]2(O)[C@@]14C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833249", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXERUTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833249, "molecule_chembl_id": "CHEMBL3182320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "742.68", "alogp": "-2.69", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "TROXERUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833238", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833238, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828656", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828656, "molecule_chembl_id": "CHEMBL462399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.23", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Inosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830730", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYROXAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830730, "molecule_chembl_id": "CHEMBL353581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PYROXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1cccnc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830125", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZATEBRADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830125, "molecule_chembl_id": "CHEMBL543767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.04", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZATEBRADINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836075", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBUNOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836075, "molecule_chembl_id": "CHEMBL1201237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levobunolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1851", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829764", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829764, "molecule_chembl_id": "CHEMBL1709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.70", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SERTRALINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834482", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834482, "molecule_chembl_id": "CHEMBL4303641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.33", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KT-433"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831798", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831798, "molecule_chembl_id": "CHEMBL611647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.81", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-CMTB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830739", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830739, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PSORALEN (FICUSIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830531", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830531, "molecule_chembl_id": "CHEMBL123904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU-1025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(O)cccc2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838961", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838961, "molecule_chembl_id": "CHEMBL4109308", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "433.90", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.61", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832015", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMETAZOLE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832015, "molecule_chembl_id": "CHEMBL1201118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.53", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFMETAZOLE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832017", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMIROLAST POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832017, "molecule_chembl_id": "CHEMBL1201050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.31", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PEMIROLAST (POTASSIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832021", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIPRAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832021, "molecule_chembl_id": "CHEMBL1201044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.92", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPIPRAZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835886", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.41808432,0.341976491)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835886, "molecule_chembl_id": "CHEMBL1323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.67", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Darunavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832025", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832025, "molecule_chembl_id": "CHEMBL1200432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.73", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLDOPATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836421", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836421, "molecule_chembl_id": "CHEMBL2107381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.31", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "uridine-triacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05866", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835901", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBUCAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835901, "molecule_chembl_id": "CHEMBL1086", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.47", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dibucaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1716", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836031", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836031, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolcapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0005284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831571", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831571, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835119", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACROLIMUS", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835119, "molecule_chembl_id": "CHEMBL269732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "804.03", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tacrolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830024", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830024, "molecule_chembl_id": "CHEMBL939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gefitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829731", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORHEXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829731, "molecule_chembl_id": "CHEMBL1484251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.38", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORHEXIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834584", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834584, "molecule_chembl_id": "CHEMBL4303182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.80", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EN460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835330", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRSOGLADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835330, "molecule_chembl_id": "CHEMBL136497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.10", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Irsogladine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830470", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATAZANAVIR SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830470, "molecule_chembl_id": "CHEMBL1200678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "802.95", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ATAZANAVIR SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838760", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838760, "molecule_chembl_id": "CHEMBL4303786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.86", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Compound 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835583", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835583, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Perphenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835391", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFESTOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835391, "molecule_chembl_id": "CHEMBL1407645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cafestol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835392", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.443206551,0.408668113)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835392, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAL-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830688", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIPIMOX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830688, "molecule_chembl_id": "CHEMBL345714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACIPIMOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)O)c[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830693", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYSTILBAMIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830693, "molecule_chembl_id": "CHEMBL1301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYSTILBAMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835594", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZINAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835594, "molecule_chembl_id": "CHEMBL614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrazinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1788", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835948", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835948, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eprobemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRIZOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831733, "molecule_chembl_id": "CHEMBL1736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.94", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "METRIZOIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834267", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834267, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GADOPENTETIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831803", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831803, "molecule_chembl_id": "CHEMBL596380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.16", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MNS (3,4-METHYLENEDIOXY-BETA-NITROSTYRENE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838755", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE GOES DOWN TO 75% MAYBE PARTIAL ANTAGONIST", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838755, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Compound 10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.126", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833446", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833446, "molecule_chembl_id": "CHEMBL3589649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENPROCOUMON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833890", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENESIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833890, "molecule_chembl_id": "CHEMBL229128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPHENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833639", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833639, "molecule_chembl_id": "CHEMBL301922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROLYLLEUCYLGLYCINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829503", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMIPRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829503, "molecule_chembl_id": "CHEMBL1200948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMIPRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833594", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833594, "molecule_chembl_id": "CHEMBL2362008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.74", "alogp": "-0.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "(D-ALA2,N-ME-PHE4, METHIONIN (O)-OL5)-ENKEPHALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC[S+](C)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831578", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEMATOXYLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831578, "molecule_chembl_id": "CHEMBL477197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEMATOXYLIN (HYDROXYBRAZILIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834152", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834152, "molecule_chembl_id": "CHEMBL4294155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.54", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834155", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834155, "molecule_chembl_id": "CHEMBL4303400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YO-01027 (DIBENZAZEPINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833608", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDOSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833608, "molecule_chembl_id": "CHEMBL1697744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERDOSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSCC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831750", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831750, "molecule_chembl_id": "CHEMBL583194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.60", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828710", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETROZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828710, "molecule_chembl_id": "CHEMBL1444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.31", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Letrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838784", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838784, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.182", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831837", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831837, "molecule_chembl_id": "CHEMBL1076257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.21", "alogp": "-1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-FLUORO-2'-DEOXYCYTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838787", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838787, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.32", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838789", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838789, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831842", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENPROBAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831842, "molecule_chembl_id": "CHEMBL1079576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831844", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831844, "molecule_chembl_id": "CHEMBL1087630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831845", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831845, "molecule_chembl_id": "CHEMBL1076555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.79", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKI-II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838795", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838795, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-52862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831847", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831847, "molecule_chembl_id": "CHEMBL1093743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRANS-10,CIS-12-CONJUGATED-LINOLEIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C=C\\CCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831451", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPOBROMAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831451, "molecule_chembl_id": "CHEMBL1585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPOBROMAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCBr)N1CCN(C(=O)CCBr)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831456", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPATYL NITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831456, "molecule_chembl_id": "CHEMBL488280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.17", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PROPATYLNITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838949", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M4", "pchembl_value": "4.61", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303776", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1821", "activity_id": 18838949, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24547.09", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.46", "sei": "15.75", "bei": "16.32", "le": "0.30"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827305", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OUABAIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827305, "molecule_chembl_id": "CHEMBL1889436", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "728.78", "alogp": "-1.51", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Ouabain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "515.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835916", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRIDAMOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835916, "molecule_chembl_id": "CHEMBL932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.64", "alogp": "-0.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dipyridamole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829508", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLECAINIDE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829508, "molecule_chembl_id": "CHEMBL1200822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLECAINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829617", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESMILIFENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829617, "molecule_chembl_id": "CHEMBL26424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.41", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DPPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(Cc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831056", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXURIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831056, "molecule_chembl_id": "CHEMBL222280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.10", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-BRDU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832611", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERPIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832611, "molecule_chembl_id": "CHEMBL1651998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.27", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERPENE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(O)CCC(C(C)(C)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834320", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834320, "molecule_chembl_id": "CHEMBL4204703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.39", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLV-320"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833392", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833392, "molecule_chembl_id": "CHEMBL3421914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.60", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DDR1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829626", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829626, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831064", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOXYQUIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831064, "molecule_chembl_id": "CHEMBL225164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOXYQUIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831720", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILCICLIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831720, "molecule_chembl_id": "CHEMBL564829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.59", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PHA-848125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829293", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829293, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830002", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830002, "molecule_chembl_id": "CHEMBL59532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.32", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-81723"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835077", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REBAMIPIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835077, "molecule_chembl_id": "CHEMBL1697771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.79", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Rebamipide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835205", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIDINIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835205, "molecule_chembl_id": "CHEMBL620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.45", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clidinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835220", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINOLFOSFATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835220, "molecule_chembl_id": "CHEMBL2104114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.13", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "creatinol-phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOP(=O)(O)O)C(=N)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830514", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLFENAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830514, "molecule_chembl_id": "CHEMBL121626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.71", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLFENAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835590", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835590, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Podophyllotoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835595", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835595, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4241", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835409", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835409, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "4-Aminopyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835445", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835445, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID50112726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03856", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835250", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROFENINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835250, "molecule_chembl_id": "CHEMBL442444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.47", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "drofenine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.258", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835460", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835460, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artesunate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830549", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTAMBEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830549, "molecule_chembl_id": "CHEMBL127516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUTAMBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830551", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZACYCLONOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830551, "molecule_chembl_id": "CHEMBL127508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.37", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZACYCLONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834786", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "28.33 \u00b1 14.75", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834786, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28330.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYROSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829994, "molecule_chembl_id": "CHEMBL925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DL-TYROSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832530", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832530, "molecule_chembl_id": "CHEMBL1601095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[2-(PIPERIDINYLAMINO)ETHYL]-4-IODOBENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCCCC1)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831573", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831573, "molecule_chembl_id": "CHEMBL508094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-1101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](C)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829509", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829509, "molecule_chembl_id": "CHEMBL1705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.56", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLONIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833596", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEVIPABULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833596, "molecule_chembl_id": "CHEMBL1182714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.83", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CEVIPABULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831589", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831589, "molecule_chembl_id": "CHEMBL497608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.30", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-888 (VELIPARIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833611", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833611, "molecule_chembl_id": "CHEMBL4303492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1486.09", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BACITRACIN (ZINC)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836543", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836543, "molecule_chembl_id": "CHEMBL4303192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "perchlozone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08741", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833795", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEROXIRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833795, "molecule_chembl_id": "CHEMBL453863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIGLYCIDYL ISOCYANURATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827748", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827748, "molecule_chembl_id": "CHEMBL1256819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.82", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Antazoline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833901", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSUXIMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833901, "molecule_chembl_id": "CHEMBL697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHSUXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832499", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832499, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833545", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABAFUNGIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833545, "molecule_chembl_id": "CHEMBL3989547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.50", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABAFUNGIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828078", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIDIHEXETHYL CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828078, "molecule_chembl_id": "CHEMBL1200771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.98", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tridihexethyl chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828276", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOETHARINE MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828276, "molecule_chembl_id": "CHEMBL1201153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isoetharine mesylate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.119", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829423", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENPERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829423, "molecule_chembl_id": "CHEMBL18331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRENPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828833", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENIDOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828833, "molecule_chembl_id": "CHEMBL1529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.91", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphenidol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835336", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROPIPRANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835336, "molecule_chembl_id": "CHEMBL426559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Laropiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835804", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTALOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835804, "molecule_chembl_id": "CHEMBL471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.37", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sotalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828978", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENCLOFENAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828978, "molecule_chembl_id": "CHEMBL15677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.14", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3257", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834037", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834037, "molecule_chembl_id": "CHEMBL388676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.59", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828733", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMCINONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828733, "molecule_chembl_id": "CHEMBL1200732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amcinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9715", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835059", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POMALIDOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835059, "molecule_chembl_id": "CHEMBL43452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.25", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pomalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3563", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833637", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPHOSPHAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833637, "molecule_chembl_id": "CHEMBL88", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOPHOSPHAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(N(CCCl)CCCl)NCCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830746", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830746, "molecule_chembl_id": "CHEMBL353187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828753", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828753, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dofetilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3312", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830757", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOVALERAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830757, "molecule_chembl_id": "CHEMBL171066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "101.15", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOVALERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828945", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828945, "molecule_chembl_id": "CHEMBL4303321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tegaserod maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.331", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835548", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOXIFYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835548, "molecule_chembl_id": "CHEMBL628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentoxifylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2031", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833673", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833673, "molecule_chembl_id": "CHEMBL4303498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYMETHOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC(C=O)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830852, "molecule_chembl_id": "CHEMBL191066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.32", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHTPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2c(-c3ccccc3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828775", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828775, "molecule_chembl_id": "CHEMBL4303555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Thonzonium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829341", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829341, "molecule_chembl_id": "CHEMBL442329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.16", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUMINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c(=O)[nH][nH]c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834858", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834858, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOTEPREDNOL ETABONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829471", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW7647", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829471, "molecule_chembl_id": "CHEMBL21241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.77", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-7647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830834", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRADECYLTHIOACETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830834, "molecule_chembl_id": "CHEMBL187734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.50", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TETRADECYLTHIOACETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCSCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830838", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REVERSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830838, "molecule_chembl_id": "CHEMBL188343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.50", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REVERSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835760", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACECADOTRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835760, "molecule_chembl_id": "CHEMBL2103772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.49", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Racecadotril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.133", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834713", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5.97 \u00b1 0.15", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.22", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834713, "molecule_chembl_id": "CHEMBL1368758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.29", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5970.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835687", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITIGLINIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835687, "molecule_chembl_id": "CHEMBL471498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.41", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mitiglinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835072", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHIONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835072, "molecule_chembl_id": "CHEMBL1650619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.17", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrithione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "On1ccccc1=S", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829084", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829084, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFASALAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835715", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835715, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brexpiprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834072", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834072, "molecule_chembl_id": "CHEMBL96074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.78", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOTRIPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835756", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.19059612,0.091009073)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835756, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835685", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRONIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835685, "molecule_chembl_id": "CHEMBL137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metronidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CCO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835696", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDAMUSTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835696, "molecule_chembl_id": "CHEMBL487253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.27", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bendamustine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835038", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYFEDRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835038, "molecule_chembl_id": "CHEMBL1651913", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxyfedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05957", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835430", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835430, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Agomelatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834080", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834080, "molecule_chembl_id": "CHEMBL59898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-102807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "121.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834455", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834455, "molecule_chembl_id": "CHEMBL4303407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "TITANOCENE DICHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIZANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830287, "molecule_chembl_id": "CHEMBL1200329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.18", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIZANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835446", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835446, "molecule_chembl_id": "CHEMBL1613220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.47", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMN 082 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03001", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828758", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RASAGILINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828758, "molecule_chembl_id": "CHEMBL887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rasagiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@@H]1CCc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829722", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FERULATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829722, "molecule_chembl_id": "CHEMBL32749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FERULIC ACID (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956938", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NECROSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956938, "molecule_chembl_id": "CHEMBL195008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "necrostatin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956994, "molecule_chembl_id": "CHEMBL4227505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.49", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BLZ945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833411", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RGB-286638", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833411, "molecule_chembl_id": "CHEMBL3545083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.64", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RGB-286638 (FREE BASE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829408", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829408, "molecule_chembl_id": "CHEMBL1715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.91", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIOGLITAZONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833915", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833915, "molecule_chembl_id": "CHEMBL4303527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[S+]([O-])c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834027", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMEXON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834027, "molecule_chembl_id": "CHEMBL146428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "111.10", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IMEXON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1NC(=O)N2CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829399", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VESNARINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829399, "molecule_chembl_id": "CHEMBL17423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.46", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VESNARINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833735", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOTOIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833735, "molecule_chembl_id": "CHEMBL1095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829202", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829202, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833543", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833543, "molecule_chembl_id": "CHEMBL3970748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD4770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828873", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828873, "molecule_chembl_id": "CHEMBL3184600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.28", "alogp": "-2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Spectinomycin dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828724", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXOFENADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828724, "molecule_chembl_id": "CHEMBL1200618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.13", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Fexofenadine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6767", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834092", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMYLOFIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834092, "molecule_chembl_id": "CHEMBL253592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.48", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMYLOFINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURATEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833994, "molecule_chembl_id": "CHEMBL514315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.28", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFURATEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830039", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARACHLOROPHENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830039, "molecule_chembl_id": "CHEMBL57053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.56", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARACHLOROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835269", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOPABATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835269, "molecule_chembl_id": "CHEMBL458769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethopabate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(NC(C)=O)ccc1C(=O)OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830524", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830524, "molecule_chembl_id": "CHEMBL1134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.30", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DECAMETHONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828931", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828931, "molecule_chembl_id": "CHEMBL1705673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.02", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fursultiamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835062", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835062, "molecule_chembl_id": "CHEMBL635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.43", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prednisone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835063", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIDINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835063, "molecule_chembl_id": "CHEMBL404215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pridinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833647", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833647, "molecule_chembl_id": "CHEMBL4303726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "834.96", "alogp": "5.60", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "FCE-22250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N=C/N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833652", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFEPIME HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833652, "molecule_chembl_id": "CHEMBL1200962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.51", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFEPIME HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835702", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZTHIAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835702, "molecule_chembl_id": "CHEMBL1201039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.95", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzthiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956882", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSAKUTANETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956882, "molecule_chembl_id": "CHEMBL470266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isosakuranetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956923", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956923, "molecule_chembl_id": "CHEMBL1422849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.46", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956927", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERASTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956927, "molecule_chembl_id": "CHEMBL401989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.06", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ERASTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956934", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MINAPRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956934, "molecule_chembl_id": "CHEMBL278819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINAPRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833649", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAZOCHROME SODIUM SULFONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833649, "molecule_chembl_id": "CHEMBL2104065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.28", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBAZOCHROME SODIUM SULFONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2=CC(=O)/C(=N\\NC(N)=O)C=C2CC1S(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828948", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BESIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828948, "molecule_chembl_id": "CHEMBL1201761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Besifloxacin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833466", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-9496", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833466, "molecule_chembl_id": "CHEMBL3623004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "1; AZD9496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833664", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833664, "molecule_chembl_id": "CHEMBL3039305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828770", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAMANDOLE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828770, "molecule_chembl_id": "CHEMBL1360024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.50", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefamandole sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.053", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956814", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956814, "molecule_chembl_id": "CHEMBL3753077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW 55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956909", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956909, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956913", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROXATIDINE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956913, "molecule_chembl_id": "CHEMBL46102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROXATIDINE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956940", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956940, "molecule_chembl_id": "CHEMBL29197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.21", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152634", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152634, "molecule_chembl_id": "CHEMBL1753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.99", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLINDAMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152970", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152970, "molecule_chembl_id": "CHEMBL1651524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.47", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-3845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147636", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOVITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147636, "molecule_chembl_id": "CHEMBL522892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOVITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147723", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPSAPIRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147723, "molecule_chembl_id": "CHEMBL8412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.49", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ipsapirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152236", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL TYROSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152236, "molecule_chembl_id": "CHEMBL65543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyl-tyrosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152603", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152603, "molecule_chembl_id": "CHEMBL1593104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-102895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956900", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956900, "molecule_chembl_id": "CHEMBL965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.20", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBACHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956992", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAFETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956992, "molecule_chembl_id": "CHEMBL206834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "576.63", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BAFETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956950", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956950, "molecule_chembl_id": "CHEMBL514554", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.50", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-573228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956962", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TUBASTATIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956962, "molecule_chembl_id": "CHEMBL2018302", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUBASTATIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955816", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955816, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pictilisib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960666", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PITOLISANT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960666, "molecule_chembl_id": "CHEMBL4164059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.32", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BF2.649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960321", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMONOMETHOXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960321, "molecule_chembl_id": "CHEMBL462990", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAMONOMETHOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956288", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956288, "molecule_chembl_id": "CHEMBL227421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.83", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK-371804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-67.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956800", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRDAMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956800, "molecule_chembl_id": "CHEMBL507361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.20", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PD-0325901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148452", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148452, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRAMIZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956662", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956662, "molecule_chembl_id": "CHEMBL3908979", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.57", "alogp": "1.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "roblitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147855", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDAMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147855, "molecule_chembl_id": "CHEMBL1490570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lidamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN=C(N)NC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956707", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956707, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP 242"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960186", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960186, "molecule_chembl_id": "CHEMBL1526649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.69", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Droxinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.734", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cl)ccc1OCCCC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151769", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREQUINSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151769, "molecule_chembl_id": "CHEMBL1256910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.96", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trequinsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c/c(=N\\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147427", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUCINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147427, "molecule_chembl_id": "CHEMBL450195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Butylresorcinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146874", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOMETAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146874, "molecule_chembl_id": "CHEMBL174697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.75", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zometapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148898", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148898, "molecule_chembl_id": "CHEMBL1557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149131", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149131, "molecule_chembl_id": "CHEMBL424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.12", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salicylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148805", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148805, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOXZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153634", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153634, "molecule_chembl_id": "CHEMBL2216824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.60", "alogp": "4.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNK-IN-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149138", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149138, "molecule_chembl_id": "CHEMBL103469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX-516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149139", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149139, "molecule_chembl_id": "CHEMBL575060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-glutamic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150955", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETASPIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150955, "molecule_chembl_id": "CHEMBL1184904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.71", "alogp": "4.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Retaspimycin (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146722", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146722, "molecule_chembl_id": "CHEMBL261010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.74", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF 10166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc3ccccc3nc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151226", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151226, "molecule_chembl_id": "CHEMBL125569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.44", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMY-45778"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146725", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146725, "molecule_chembl_id": "CHEMBL1897150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.12", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BACLOFEN HYDROCHLORIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146047", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LXS-196", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146047, "molecule_chembl_id": "CHEMBL3982723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.48", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LXS196"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150772", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150772, "molecule_chembl_id": "CHEMBL404271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "acarbose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151323", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151323, "molecule_chembl_id": "CHEMBL3039603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.16", "alogp": "-3.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "hexonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(O)C(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146545", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146545, "molecule_chembl_id": "CHEMBL4303584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.87", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN 1747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151058", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151058, "molecule_chembl_id": "CHEMBL4521971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.26", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-196"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150453", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150453, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALOPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150072", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150072, "molecule_chembl_id": "CHEMBL817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLAZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153681", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOCAPROIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153681, "molecule_chembl_id": "CHEMBL1046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOCAPROIC_acid HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153701", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATIPRIMOD DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153701, "molecule_chembl_id": "CHEMBL3215883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "atiprimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150355", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150355, "molecule_chembl_id": "CHEMBL444711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Perillyl alcohol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)C1CC=C(CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153007", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEVIRIMAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153007, "molecule_chembl_id": "CHEMBL404519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.84", "alogp": "8.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Bevirimat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148397", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148397, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IRBESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152903", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALMETEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152903, "molecule_chembl_id": "CHEMBL1263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALMETEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148510", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOLDOPAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148510, "molecule_chembl_id": "CHEMBL588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.76", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-SKF-82526"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148192", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBENDAZOLE OXIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148192, "molecule_chembl_id": "CHEMBL1665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.34", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Albendazole Oxide (Ricobendazole)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[S+]([O-])c1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152696", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPORINAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152696, "molecule_chembl_id": "CHEMBL566757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.52", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Daporinad\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148447", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148447, "molecule_chembl_id": "CHEMBL4303262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "775.82", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "nemonapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl.CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152247, "molecule_chembl_id": "CHEMBL2337806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.89", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AS-1949490"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152640", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUTILIDE FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152640, "molecule_chembl_id": "CHEMBL2355456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "885.24", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibutilide fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152973", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRASTININE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152973, "molecule_chembl_id": "CHEMBL1517651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.69", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDRASTININE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2C1O)OCO3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148481", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148481, "molecule_chembl_id": "CHEMBL1201320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OMEPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147643", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147643, "molecule_chembl_id": "CHEMBL216276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GP1a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147501", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147501, "molecule_chembl_id": "CHEMBL566136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(N)sc(-c2ccccc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150331", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-243213", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150331, "molecule_chembl_id": "CHEMBL14460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-243213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150333", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150333, "molecule_chembl_id": "CHEMBL1179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANYLCYPROMINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1C[C@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154066", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIORIDAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154066, "molecule_chembl_id": "CHEMBL1200916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.05", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM002564240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153226", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153226, "molecule_chembl_id": "CHEMBL2443044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.44", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NMS-E973"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148661", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148661, "molecule_chembl_id": "CHEMBL4303575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,3-cis/exo-Camphanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149229", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149229, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AGOMELATINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153733, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146879", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPIRAMIDE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146879, "molecule_chembl_id": "CHEMBL1200672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "634.63", "alogp": "0.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefpiramide (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146045", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146045, "molecule_chembl_id": "CHEMBL1256415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-methoxytacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3c(c(N)c2c1)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148981", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148981, "molecule_chembl_id": "CHEMBL4303611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-158"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149304", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149304, "molecule_chembl_id": "CHEMBL259551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.35", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR-180204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154349", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.67", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154349, "molecule_chembl_id": "CHEMBL601661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.61", "alogp": "3.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-125132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21620.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149859", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-778123", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149859, "molecule_chembl_id": "CHEMBL4297396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.35", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-778123 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153366", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153366, "molecule_chembl_id": "CHEMBL1559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.15", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM002264623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153367", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153367, "molecule_chembl_id": "CHEMBL3125890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.53", "alogp": "6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAK-632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149940", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149940, "molecule_chembl_id": "CHEMBL196945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.17", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Itanapraced"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146937", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESTOLACTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146937, "molecule_chembl_id": "CHEMBL1571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Testolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151522", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151522, "molecule_chembl_id": "CHEMBL1424957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-314397"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146279", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146279, "molecule_chembl_id": "CHEMBL1200408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pantoprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150920", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150920, "molecule_chembl_id": "CHEMBL3039328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "583.60", "alogp": "-7.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIHYDROSTREPTOMYCIN SESQUISULFATE [5mM/10% aq DMSO]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C(OC2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)OC(C)[C@]2(O)CO)OC(CO)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146284", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETOSTEARYL ALCOHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146284, "molecule_chembl_id": "CHEMBL24640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.50", "alogp": "6.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Octadecan-1-ol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151029", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151029, "molecule_chembl_id": "CHEMBL1447706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-643585"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152478", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXLOXIGLUMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152478, "molecule_chembl_id": "CHEMBL550781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "dexloxiglumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151840", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151840, "molecule_chembl_id": "CHEMBL4578491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.86", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD-1236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151704", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151704, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tranilast\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152564", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACAMPICILLIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152564, "molecule_chembl_id": "CHEMBL1200965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.99", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BACAMPICILLIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147004", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147004, "molecule_chembl_id": "CHEMBL1414870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.29", "alogp": "1.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ambazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N=Nc1ccc(NNC(=N)S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152569", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152569, "molecule_chembl_id": "CHEMBL648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151988", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151988, "molecule_chembl_id": "CHEMBL285742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152579", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152579, "molecule_chembl_id": "CHEMBL3393348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06447475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154664", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154664, "molecule_chembl_id": "CHEMBL583194", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "494.60", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154665", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154665, "molecule_chembl_id": "CHEMBL3967196", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "375.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150565", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1152-HQPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150565, "molecule_chembl_id": "CHEMBL215152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.57", "alogp": "3.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Barasertib (AZD1152-HQPA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150137", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLTHIOURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150137, "molecule_chembl_id": "CHEMBL1518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.24", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPYLTHIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146155", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146155, "molecule_chembl_id": "CHEMBL514800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APREMILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146346", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STIRIPENTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146346, "molecule_chembl_id": "CHEMBL1983350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.29", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "stiripentol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150587", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150587, "molecule_chembl_id": "CHEMBL4303273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.24", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANR-94"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2c(N)ncnc2n1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146690", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146690, "molecule_chembl_id": "CHEMBL117649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.26", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Hydroxy-2;2;6;6-tetramethyl-piperidinooxy;98%;free radical"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(O)CC(C)(C)N1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150445", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150445, "molecule_chembl_id": "CHEMBL2089255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.39", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-Mps1-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146692", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146692, "molecule_chembl_id": "CHEMBL129263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMY-14802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151648", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOTEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151648, "molecule_chembl_id": "CHEMBL2403238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Cabotegravir (GSK744; GSK1265744)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154411", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154411, "molecule_chembl_id": "CHEMBL3609407", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "532.37", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK805"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12120.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149914", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEANOLIC_ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149914, "molecule_chembl_id": "CHEMBL168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oleanolic_acid (Caryophyllin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153020", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NCX-4016", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153020, "molecule_chembl_id": "CHEMBL374385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.28", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NO-ASA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148081", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENINDAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148081, "molecule_chembl_id": "CHEMBL278398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phenindamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152390", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152390, "molecule_chembl_id": "CHEMBL547193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.35", "alogp": "5.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665798"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148417", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148417, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir (ABT-378)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148531", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148531, "molecule_chembl_id": "CHEMBL2171250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.72", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152928", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEBUXOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152928, "molecule_chembl_id": "CHEMBL1164729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FEBUXOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152651", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COMBRETASTATIN A4", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152651, "molecule_chembl_id": "CHEMBL67", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CA-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145687", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRONOPOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145687, "molecule_chembl_id": "CHEMBL1408862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.99", "alogp": "-0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRONOPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])C(Br)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150356", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150356, "molecule_chembl_id": "CHEMBL36715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150239", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERULENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150239, "molecule_chembl_id": "CHEMBL45627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cerulenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150174", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150174, "molecule_chembl_id": "CHEMBL351231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT 239 tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149683", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXATOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149683, "molecule_chembl_id": "CHEMBL13828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxatomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154640", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154640, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine (Fanchinine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.83", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154533", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154533, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154535", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154535, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "brefeldin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150034", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150034, "molecule_chembl_id": "CHEMBL1315073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quipazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O.c1ccc2nc(N3CCNCC3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150229", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150229, "molecule_chembl_id": "CHEMBL1204876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.83", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL316243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154541", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CFI-400945", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154541, "molecule_chembl_id": "CHEMBL3408947", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CFI-400945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150042", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150042, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fludarabine phosphate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147460", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147460, "molecule_chembl_id": "CHEMBL284969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.81", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-chloro-N6-cyclopentyladenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964492", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964492, "molecule_chembl_id": "CHEMBL1422849", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "415.46", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959992", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAROXYPROPIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959992, "molecule_chembl_id": "CHEMBL312311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.18", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAROXYPROPIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964509", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964509, "molecule_chembl_id": "CHEMBL449298", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959964", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-1059615", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959964, "molecule_chembl_id": "CHEMBL3544966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.37", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK1059615"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.359", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959967", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOSBRETABULIN DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959967, "molecule_chembl_id": "CHEMBL289351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.30", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fosbretabulin (disodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959968", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959968, "molecule_chembl_id": "CHEMBL444236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.54", "alogp": "4.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1;2;3;4;5;6-hexabromocyclohexane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "BrC1C(Br)C(Br)C(Br)C(Br)C1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955589", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955589, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rivaroxaban\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959924", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959924, "molecule_chembl_id": "CHEMBL2059865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-12080282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959930", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959930, "molecule_chembl_id": "CHEMBL25599", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.21", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCMQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cc2ccccc2nc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149116", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149116, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olcegepant\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149354", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149354, "molecule_chembl_id": "CHEMBL2130744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.82", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tropisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961391", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOPOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961391, "molecule_chembl_id": "CHEMBL44657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.56", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Etoposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960364", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960364, "molecule_chembl_id": "CHEMBL403183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959814", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959814, "molecule_chembl_id": "CHEMBL3752151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NI-57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964355", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964355, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "EBSELEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955773", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955773, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150266", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150266, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALTRETAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154203", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.48", "bao_label": "organism-based format", "molecule_pref_name": "AMRUBICIN", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154203, "molecule_chembl_id": "CHEMBL1186894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.47", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963858", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GIBBERELLIN A3", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963858, "molecule_chembl_id": "CHEMBL1232952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.38", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Gibberellic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963860", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963860, "molecule_chembl_id": "CHEMBL686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150209", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150209, "molecule_chembl_id": "CHEMBL1256695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.82", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nisoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccccc1OC)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153374", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153374, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pimasertib (AS-703026)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154634", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154634, "molecule_chembl_id": "CHEMBL4303221", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "429.55", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "StemRegenin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148768", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NANDROLONE DECANOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148768, "molecule_chembl_id": "CHEMBL1200946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.66", "alogp": "7.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nandrolone decanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146348", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAMAZEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146348, "molecule_chembl_id": "CHEMBL108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBAMAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLUTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150669, "molecule_chembl_id": "CHEMBL50444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.14", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEGLUTOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150670", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150670, "molecule_chembl_id": "CHEMBL2409106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.32", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-297"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147148", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTATHIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147148, "molecule_chembl_id": "CHEMBL1543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "-2.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GLUTATHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146728", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE HEMISUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146728, "molecule_chembl_id": "CHEMBL485659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.52", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PREDNISOLONE HEMISUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146052", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPEROSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146052, "molecule_chembl_id": "CHEMBL251254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "-0.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Hyperoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150553, "molecule_chembl_id": "CHEMBL1701224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.97", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD086019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146054", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBANDRONATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146054, "molecule_chembl_id": "CHEMBL3989569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.23", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IBANDRONATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151531", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINYL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151531, "molecule_chembl_id": "CHEMBL486193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RETINYL ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151538", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DL-PENICILLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151538, "molecule_chembl_id": "CHEMBL13239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.21", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENICILLAMINE ETHANOLAMINE SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151466", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151466, "molecule_chembl_id": "CHEMBL1604618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.36", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML167"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147118", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R,S)-AMPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147118, "molecule_chembl_id": "CHEMBL13378", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPA-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(O)c1CC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960262", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960262, "molecule_chembl_id": "CHEMBL3192687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.39", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-083010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145924", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUISQUALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145924, "molecule_chembl_id": "CHEMBL279956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.13", "alogp": "-2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Quisqualic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146649", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146649, "molecule_chembl_id": "CHEMBL495575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.49", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY 316606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NC1CCNCC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146654", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146654, "molecule_chembl_id": "CHEMBL508094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-1101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](C)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961375", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-256066", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961375, "molecule_chembl_id": "CHEMBL570015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.60", "alogp": "3.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GSK256066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961376", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961376, "molecule_chembl_id": "CHEMBL499968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146506", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOCTRAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146506, "molecule_chembl_id": "CHEMBL2104186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINOCTRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150433", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150433, "molecule_chembl_id": "CHEMBL2374961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sobrepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC[C@@H](C(C)(C)O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145506", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145506, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151997", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TXA127", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151997, "molecule_chembl_id": "CHEMBL3545347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "899.02", "alogp": "-1.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Angiotensin (1-7)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146322", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RGB-286638", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146322, "molecule_chembl_id": "CHEMBL3545083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.64", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RGB-286638 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145518", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CENICRIVIROC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145518, "molecule_chembl_id": "CHEMBL2110727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "696.96", "alogp": "8.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CENICRIVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148965", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGATROBAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148965, "molecule_chembl_id": "CHEMBL1166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ARGATROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961474", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961474, "molecule_chembl_id": "CHEMBL221265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "935.01", "alogp": "8.31", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "TPPS4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.684", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc(c(-c5ccc(S(=O)(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961571", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINAPRILAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961571, "molecule_chembl_id": "CHEMBL1733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.47", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINAPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.716", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955753", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRADIOL CYPIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955753, "molecule_chembl_id": "CHEMBL1200973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Estradiol cypionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964461", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964461, "molecule_chembl_id": "CHEMBL2354521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.86", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxyfedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959974", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959974, "molecule_chembl_id": "CHEMBL1200469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956638", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "[11C]SA4503", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956638, "molecule_chembl_id": "CHEMBL408867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cutamesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956356", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-242235", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956356, "molecule_chembl_id": "CHEMBL95692", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-242235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961133", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADIAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961133, "molecule_chembl_id": "CHEMBL439", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.28", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956644", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956644, "molecule_chembl_id": "CHEMBL3609372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.93", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVS-PAK1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148750", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPLERENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148750, "molecule_chembl_id": "CHEMBL1095097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.50", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eplerenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153179", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153179, "molecule_chembl_id": "CHEMBL1329032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.26", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spaglumic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153731", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153731, "molecule_chembl_id": "CHEMBL190228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.43", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV688703"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLAPITANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153642, "molecule_chembl_id": "CHEMBL3707331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "rolapitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959966", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISBUFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959966, "molecule_chembl_id": "CHEMBL1453416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isbufylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964521", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964521, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149256", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICHORIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149256, "molecule_chembl_id": "CHEMBL282731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.37", "alogp": "1.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CICHORIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955868", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMBRISENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955868, "molecule_chembl_id": "CHEMBL1111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ambrisentan\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956314", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESAZURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956314, "molecule_chembl_id": "CHEMBL1616414", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.19", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Resazurin (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2[n+]([O-])c3ccc(O)cc3oc-2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955869", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIDAPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955869, "molecule_chembl_id": "CHEMBL317094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.45", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imidapril hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960293", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960293, "molecule_chembl_id": "CHEMBL52030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.37", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-655;708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960344", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960344, "molecule_chembl_id": "CHEMBL3039381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960345", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960345, "molecule_chembl_id": "CHEMBL1208", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.22", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CINOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960368", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960368, "molecule_chembl_id": "CHEMBL4303592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD-7389"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.357", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959449", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959449, "molecule_chembl_id": "CHEMBL226335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.52", "alogp": "-1.69", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "RUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959952", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959952, "molecule_chembl_id": "CHEMBL4303347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.60", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AT-1015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.956", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CN1CCC(C(=O)NCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959988", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENFOTIAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959988, "molecule_chembl_id": "CHEMBL1491875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFOTIAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960028", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTYLPARABEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960028, "molecule_chembl_id": "CHEMBL459008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYL PARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960135", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINFLUNINE DITARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960135, "molecule_chembl_id": "CHEMBL2105629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1117.12", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Vinflunine Ditartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153834", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOGESTREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153834, "molecule_chembl_id": "CHEMBL1533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.48", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desogestrel\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146072", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146072, "molecule_chembl_id": "CHEMBL113180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1onc(O)c1CC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150135", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150135, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levcromakalim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154093", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDAFITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154093, "molecule_chembl_id": "CHEMBL3545376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.56", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "erdafitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959816", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCTACOSANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959816, "molecule_chembl_id": "CHEMBL1951714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.77", "alogp": "10.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1-Octacosanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955684", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955684, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "18beta-Glycyrrhetinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960465", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960465, "molecule_chembl_id": "CHEMBL3613749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.03", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 2830371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150987", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "M-MPEP", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150987, "molecule_chembl_id": "CHEMBL332397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C#Cc2cccc(C)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151141", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL AMINOLEVULINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151141, "molecule_chembl_id": "CHEMBL1201093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.62", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyl Aminolevulinate_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCC(=O)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151623", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151623, "molecule_chembl_id": "CHEMBL1223844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.46", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-382631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151144", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECERNOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151144, "molecule_chembl_id": "CHEMBL3039513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.39", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Decernotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956328", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956328, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPURINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151737", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITIFADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151737, "molecule_chembl_id": "CHEMBL592374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.12", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "amitifadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956332", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956332, "molecule_chembl_id": "CHEMBL2431867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MN-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961365", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFTAROLINE FOSAMIL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961365, "molecule_chembl_id": "CHEMBL3544973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "762.77", "alogp": "-0.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ceftaroline-fosamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956591", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956591, "molecule_chembl_id": "CHEMBL4537826", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.51", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MI-77301"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146303", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP1-1189", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146303, "molecule_chembl_id": "CHEMBL4297369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "REN-1189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145934", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145934, "molecule_chembl_id": "CHEMBL4303643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.16", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UF-010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNNC(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146165", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOPRIM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146165, "molecule_chembl_id": "CHEMBL22", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimethoprim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145516", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145516, "molecule_chembl_id": "CHEMBL3039369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "769.97", "alogp": "6.07", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SELAMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145625", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145625, "molecule_chembl_id": "CHEMBL4460029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.38", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Pyr10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147055", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOBUTYRAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147055, "molecule_chembl_id": "CHEMBL352219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "87.12", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isobutyramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153695", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMITRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153695, "molecule_chembl_id": "CHEMBL1200964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMITRIPTYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960723", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARDOXOLONE METHYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960723, "molecule_chembl_id": "CHEMBL1762621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.70", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Bardoxolone Methyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961418", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UPROSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961418, "molecule_chembl_id": "CHEMBL3137336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.25", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Uprosertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961040", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961040, "molecule_chembl_id": "CHEMBL4303331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "0.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Myricitrin (Myricitrine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153126", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSULFAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153126, "molecule_chembl_id": "CHEMBL820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUSULFAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149603", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149603, "molecule_chembl_id": "CHEMBL1371857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.98", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "altanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154113", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154113, "molecule_chembl_id": "CHEMBL1173655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Afatinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149950", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149950, "molecule_chembl_id": "CHEMBL49642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Indibulin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149621", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URETHANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149621, "molecule_chembl_id": "CHEMBL462547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URETHANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149625", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARSASAPOGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149625, "molecule_chembl_id": "CHEMBL1171146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sarsasapogenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960172", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICERITROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960172, "molecule_chembl_id": "CHEMBL1697762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.53", "alogp": "2.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "niceritrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959937", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959937, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Posaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961650", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961650, "molecule_chembl_id": "CHEMBL2324344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.60", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PK-THPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961324", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961324, "molecule_chembl_id": "CHEMBL1236315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.09", "alogp": "-2.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TARTARIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961220", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DENATONIUM BENZOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961220, "molecule_chembl_id": "CHEMBL1371493", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.59", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DENATONIUM BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961225", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZALKONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961225, "molecule_chembl_id": "CHEMBL502109", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.02", "alogp": "6.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZALKONIUM CHLORIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956339", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAIDZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956339, "molecule_chembl_id": "CHEMBL486422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAIDZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150148", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150148, "molecule_chembl_id": "CHEMBL2106178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tromaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148588", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148588, "molecule_chembl_id": "CHEMBL269671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTEMISININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148606", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148606, "molecule_chembl_id": "CHEMBL191467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.12", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PMPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148612", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEOYL DOPAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148612, "molecule_chembl_id": "CHEMBL250711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.63", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956310", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956310, "molecule_chembl_id": "CHEMBL341324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.94", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT-14225"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153322", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIHEXYPHENIDYL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153322, "molecule_chembl_id": "CHEMBL1092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.94", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIHEXYPHENIDYL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960348", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960348, "molecule_chembl_id": "CHEMBL13564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BZA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154446", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GSK-369796", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154446, "molecule_chembl_id": "CHEMBL147806", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "N-tert-Butylisoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12430.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960175", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960175, "molecule_chembl_id": "CHEMBL159096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.54", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956502", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VILDAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956502, "molecule_chembl_id": "CHEMBL142703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "vildagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148595", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148595, "molecule_chembl_id": "CHEMBL1200885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.82", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alosetron_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APC-100", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959994, "molecule_chembl_id": "CHEMBL37676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.31", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APC-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.585", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956504", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956504, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153120", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELVITEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153120, "molecule_chembl_id": "CHEMBL204656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.89", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Elvitegravir (GS-9137)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960585", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960585, "molecule_chembl_id": "CHEMBL3597952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.49", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACT-462206"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960165", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960165, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMFIBROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148725", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FADROZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148725, "molecule_chembl_id": "CHEMBL9298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fadrozole\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955558", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OTENZEPAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955558, "molecule_chembl_id": "CHEMBL17045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Otenzepad\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956474", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVASTIGMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956474, "molecule_chembl_id": "CHEMBL636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rivastigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961586", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERUBULIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961586, "molecule_chembl_id": "CHEMBL2105697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "verubulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955980", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955980, "molecule_chembl_id": "CHEMBL4303417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-26576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccnc2OC[C@@H]2CCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960242", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TG100-801", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960242, "molecule_chembl_id": "CHEMBL403989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.09", "alogp": "7.09", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "TG 100801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960765, "molecule_chembl_id": "CHEMBL1256844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.96", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-269970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955792", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORDYCEPIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955792, "molecule_chembl_id": "CHEMBL305686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.25", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "3'-Deoxyadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960685", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "E-64C", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960685, "molecule_chembl_id": "CHEMBL418661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Loxistatin_acid (E-64C)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960795", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMIBEGRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960795, "molecule_chembl_id": "CHEMBL545437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "amibegron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.501", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960040", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRANAPLAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960040, "molecule_chembl_id": "CHEMBL4290141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.49", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Branaplam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.026", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960041", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960041, "molecule_chembl_id": "CHEMBL4303390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY393558"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.301", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1Cc2cc(S(C)(=O)=O)ccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960043", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IRINOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960043, "molecule_chembl_id": "CHEMBL3989514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "677.19", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "irinotecan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964326", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964326, "molecule_chembl_id": "CHEMBL1886408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.30", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Felbinac ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955947", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955947, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oseltamivir carboxylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956092", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACLATASVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956092, "molecule_chembl_id": "CHEMBL2023898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "738.89", "alogp": "6.22", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daclatasvir dihydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956193", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOLATREXED", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956193, "molecule_chembl_id": "CHEMBL320775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.34", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NOLATREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960910", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COSTUNOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960910, "molecule_chembl_id": "CHEMBL86416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.32", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "costunolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.509", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\C)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960984", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-690330", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960984, "molecule_chembl_id": "CHEMBL34819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.12", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-690330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccc(O)cc1)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955719", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOCOPHEROL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955719, "molecule_chembl_id": "CHEMBL1047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.75", "alogp": "9.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tocopherol acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961237", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETHOBENZAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961237, "molecule_chembl_id": "CHEMBL1200887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.93", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHOBENZAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.515", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961360", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961360, "molecule_chembl_id": "CHEMBL4303478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "669.86", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DPC-681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNCc1cccc(F)c1)C(C)(C)C)S(=O)(=O)c1cccc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961573", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOBENZAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961573, "molecule_chembl_id": "CHEMBL1200636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.86", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOBENZAPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.522", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961505", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961505, "molecule_chembl_id": "CHEMBL477936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.36", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 74859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.112", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958091", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GELDANAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958091, "molecule_chembl_id": "CHEMBL278315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.64", "alogp": "2.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GELDANAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963245", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963245, "molecule_chembl_id": "CHEMBL2356712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.01", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Barnidipine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962247, "molecule_chembl_id": "CHEMBL381055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADX-47273"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957649", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MITOXANTRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957649, "molecule_chembl_id": "CHEMBL58", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.49", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MITOXANTRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962437", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962437, "molecule_chembl_id": "CHEMBL43152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.31", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-166793"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962474", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962474, "molecule_chembl_id": "CHEMBL1962516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.16", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrazinoylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962805", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOANTIPYRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962805, "molecule_chembl_id": "CHEMBL24132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.13", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Iodoantipyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(I)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957969", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957969, "molecule_chembl_id": "CHEMBL248183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PKC-theta inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962993", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEKANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962993, "molecule_chembl_id": "CHEMBL1237048", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.60", "alogp": "-7.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BEKANAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958194", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958194, "molecule_chembl_id": "CHEMBL496587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.13", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085938"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2cccc(Br)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962797", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962797, "molecule_chembl_id": "CHEMBL2169919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "2.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ004777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.067", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962668, "molecule_chembl_id": "CHEMBL3603847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.821", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963149", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963149, "molecule_chembl_id": "CHEMBL88272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.96", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-17053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.875", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958216", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958216, "molecule_chembl_id": "CHEMBL445420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-phenyl-1H-pyrazole-3-carboxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1cc[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962077", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962077, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pictilisib (GDC-0941)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957624", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALTIRATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957624, "molecule_chembl_id": "CHEMBL3545365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.47", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Altiratinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963682", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963682, "molecule_chembl_id": "CHEMBL288246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.60", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EMD-66684"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959082", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALUBRINAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959082, "molecule_chembl_id": "CHEMBL180127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.82", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "salubrinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963693", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVERINE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963693, "molecule_chembl_id": "CHEMBL1408594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALVERINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959093", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959093, "molecule_chembl_id": "CHEMBL4303629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.45", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE PHOSPHATE TRIETHYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)COP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959671", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESVENLAFAXINE SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959671, "molecule_chembl_id": "CHEMBL1201728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.47", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESVENLAFAXINE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963745", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETROQUINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963745, "molecule_chembl_id": "CHEMBL1329029", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.09", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETROQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.192", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C(O)C(=O)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959142", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959142, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPRONIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963747", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARICOTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963747, "molecule_chembl_id": "CHEMBL2000716", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "caricotamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1C=CCC(C(N)=O)=C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964372", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOCANLIDIC ACID", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964372, "molecule_chembl_id": "CHEMBL128251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.40", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "omega-(4-Iodophenyl)pentadecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCCCCCCCCc1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959410", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959410, "molecule_chembl_id": "CHEMBL68381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.67", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FEXOFENADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154197", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.43", "bao_label": "organism-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154197, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-AZAGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3720.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149661", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAPRENEPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149661, "molecule_chembl_id": "CHEMBL2107783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taprenepag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152726", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZATHIOPRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152726, "molecule_chembl_id": "CHEMBL1542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZATHIOPRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152416", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152416, "molecule_chembl_id": "CHEMBL20963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.57", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-216641"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148041", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148041, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CANDESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152461", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152461, "molecule_chembl_id": "CHEMBL28324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "721.86", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KN-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152462", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152462, "molecule_chembl_id": "CHEMBL150315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.75", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-306416"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147980", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147980, "molecule_chembl_id": "CHEMBL3616839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152068", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DETROTHYRONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152068, "molecule_chembl_id": "CHEMBL557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LIOTHYRONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961641", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961641, "molecule_chembl_id": "CHEMBL218071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "536.45", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-798;106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961642, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olcegepant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956374", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956374, "molecule_chembl_id": "CHEMBL3903492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.81", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MSC2530818"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961151", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VONOPRAZAN FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961151, "molecule_chembl_id": "CHEMBL2064032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vonoprazan Fumarate (TAK-438)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956375", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956375, "molecule_chembl_id": "CHEMBL4552060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.30", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STK16-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)ccc3c[nH]c4nccc-4c32)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956377", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956377, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961445", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZIMILIDE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961445, "molecule_chembl_id": "CHEMBL3140370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.88", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azimilide (Dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956540", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956540, "molecule_chembl_id": "CHEMBL3672295", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OTS514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960501", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960501, "molecule_chembl_id": "CHEMBL1076257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.21", "alogp": "-1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Fluoro-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.209", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148409", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENESIN CARBAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148409, "molecule_chembl_id": "CHEMBL607710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.66", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chlorphensin-carbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152399", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152399, "molecule_chembl_id": "CHEMBL3092807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.59", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957340", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2090314", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957340, "molecule_chembl_id": "CHEMBL362558", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.55", "alogp": "3.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LY2090314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961939", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MESNA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961939, "molecule_chembl_id": "CHEMBL975", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.757", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCS.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146610", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN 23", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146610, "molecule_chembl_id": "CHEMBL76904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG 18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153135", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERESTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153135, "molecule_chembl_id": "CHEMBL3545307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.54", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Merestinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153139", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153139, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2603618 (IC-83)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146625", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRONIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146625, "molecule_chembl_id": "CHEMBL4297288", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "F351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccc(O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153429", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153429, "molecule_chembl_id": "CHEMBL4567342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP 231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148877", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148877, "molecule_chembl_id": "CHEMBL124267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "0.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Hydroxybenzhydrazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153514", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153514, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153283", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTAZOLINE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153283, "molecule_chembl_id": "CHEMBL1200550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.35", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTAZOLINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146489", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146489, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAMIBAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146490", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146490, "molecule_chembl_id": "CHEMBL1550451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.30", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-645789"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151264", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SP-420", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151264, "molecule_chembl_id": "CHEMBL1092665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.41", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SP-420"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151267", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151267, "molecule_chembl_id": "CHEMBL158578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.21", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-phenyl-propylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146767", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOSEDOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146767, "molecule_chembl_id": "CHEMBL2103847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tosedostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146677", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORTIOXETINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146677, "molecule_chembl_id": "CHEMBL2107387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.37", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORTIOXETINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151183", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151183, "molecule_chembl_id": "CHEMBL4554748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.47", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MESTEROLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(=O)CC2CCC3C4CCC(O)C4(C)CCC3C12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151284", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151284, "molecule_chembl_id": "CHEMBL3526391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.41", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-desalkylquetiapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146536", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "D-HISTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146536, "molecule_chembl_id": "CHEMBL104875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.16", "alogp": "-0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Histidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151320", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151320, "molecule_chembl_id": "CHEMBL255787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 740003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146823", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACACETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146823, "molecule_chembl_id": "CHEMBL243664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACACETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151364", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151364, "molecule_chembl_id": "CHEMBL286471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.37", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-270237"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151367", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151367, "molecule_chembl_id": "CHEMBL2088036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NNC-63-0532"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146830", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146830, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OLTIPRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146724", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAZABEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146724, "molecule_chembl_id": "CHEMBL279390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.64", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LAZABEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNC(=O)c1ccc(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151432", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMEPROMAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151432, "molecule_chembl_id": "CHEMBL1764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.48", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levomepromazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146281", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIVANTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146281, "molecule_chembl_id": "CHEMBL2103882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.42", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tivantinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150921", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150921, "molecule_chembl_id": "CHEMBL1448010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.83", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEFEXAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146143, "molecule_chembl_id": "CHEMBL1474985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.24", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-198306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146294", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTIOPRONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146294, "molecule_chembl_id": "CHEMBL2106444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOPRONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](S)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147161", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFIBRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147161, "molecule_chembl_id": "CHEMBL683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.65", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOFIBRIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147132", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHINDRONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147132, "molecule_chembl_id": "CHEMBL1201146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norethindrone acetate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146650", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146650, "molecule_chembl_id": "CHEMBL442687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.17", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2cc(O)ccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151636", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151636, "molecule_chembl_id": "CHEMBL376359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.40", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alogliptin benzoate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151156", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151156, "molecule_chembl_id": "CHEMBL4303483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.21", "alogp": "-3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyl-D-glucosamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148440", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4'-METHOXYFLAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148440, "molecule_chembl_id": "CHEMBL16312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4'-METHOXYFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152947", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152947, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib (HM781-36B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148444", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLE-3-CARBINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148444, "molecule_chembl_id": "CHEMBL155625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Indole-3-carbinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153060", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153060, "molecule_chembl_id": "CHEMBL79004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.75", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PS-1145"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150773", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150773, "molecule_chembl_id": "CHEMBL4303209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.47", "alogp": "-1.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Paeoniflorin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150780", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VISMODEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150780, "molecule_chembl_id": "CHEMBL473417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.31", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vismodegib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150838", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOSALICYLATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150838, "molecule_chembl_id": "CHEMBL2096646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.15", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOSALICYLATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150795", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFOTIAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150795, "molecule_chembl_id": "CHEMBL1491875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFOTIAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146146", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMORFAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146146, "molecule_chembl_id": "CHEMBL2103954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emorfazone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c(N2CCOCC2)cnn(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153216", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153216, "molecule_chembl_id": "CHEMBL528271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "parbendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150804", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150804, "molecule_chembl_id": "CHEMBL492574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.58", "alogp": "-6.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "APRAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153220", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXATECAN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153220, "molecule_chembl_id": "CHEMBL3989759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.59", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Exatecan Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154339", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154339, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154342", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.45", "bao_label": "organism-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154342, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3540.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151172", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151172, "molecule_chembl_id": "CHEMBL290071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.49", "alogp": "-4.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Arg-Gly-Asp-Cys"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150676", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMIROLAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150676, "molecule_chembl_id": "CHEMBL1201198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.22", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pemirolast\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146572", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMBUTOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146572, "molecule_chembl_id": "CHEMBL3140361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.24", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMBUTOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150865", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150865, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150885", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEOXYCHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150885, "molecule_chembl_id": "CHEMBL406393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEOXYCHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146433", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146433, "molecule_chembl_id": "CHEMBL566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "112.09", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "URACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151090", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTANTHRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151090, "molecule_chembl_id": "CHEMBL306946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-n2c1nc1ccccc1c2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146456", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146456, "molecule_chembl_id": "CHEMBL153057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-165041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146461", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROCRESOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146461, "molecule_chembl_id": "CHEMBL1230222", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.58", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROCRESOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146462", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLPIDEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146462, "molecule_chembl_id": "CHEMBL911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLPIDEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961014", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-DAMP", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961014, "molecule_chembl_id": "CHEMBL76897", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961461", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROBUTANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961461, "molecule_chembl_id": "CHEMBL1439973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "177.46", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROBUTANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961061, "molecule_chembl_id": "CHEMBL1744069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.43", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "timolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960722", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960722, "molecule_chembl_id": "CHEMBL4303380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.91", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZCL-278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.616", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960934", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RHEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960934, "molecule_chembl_id": "CHEMBL418068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rheic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960936", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPHOTERICIN B", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960936, "molecule_chembl_id": "CHEMBL267345", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "924.09", "alogp": "0.71", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Amphotericin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956197", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956197, "molecule_chembl_id": "CHEMBL3393607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "493.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNK-IN-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153037", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPOXUR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153037, "molecule_chembl_id": "CHEMBL446060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPOXUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccccc1OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148427", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148427, "molecule_chembl_id": "CHEMBL462997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Salicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152969", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORAMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152969, "molecule_chembl_id": "CHEMBL103667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.99", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "DORAMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148164", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148164, "molecule_chembl_id": "CHEMBL1329690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.74", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Miglustat (N-Butyldeoxynojirimycin_HCL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152507", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYTONADIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152507, "molecule_chembl_id": "CHEMBL1550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.71", "alogp": "9.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Phylloquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C/C=C(\\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148005", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESMOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148005, "molecule_chembl_id": "CHEMBL1201115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Esmolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960797", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COPANLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960797, "molecule_chembl_id": "CHEMBL3218576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.53", "alogp": "0.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Copanlisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.257", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960799", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960799, "molecule_chembl_id": "CHEMBL479014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.03", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-bromo-7-nitroindazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.546", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2c(Br)n[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956032", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956032, "molecule_chembl_id": "CHEMBL259664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Couroupitine B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1\\Nc2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964024", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFTRIAXONE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964024, "molecule_chembl_id": "CHEMBL3183968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "652.60", "alogp": "-1.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFTRIAXONE SODIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956034", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AR-42", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956034, "molecule_chembl_id": "CHEMBL191482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AR-42 (HDAC-42)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956178", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RELEBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956178, "molecule_chembl_id": "CHEMBL3112741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RELEBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956224", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956224, "molecule_chembl_id": "CHEMBL1566492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.37", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AKR1C3-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960725", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENYLPYRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960725, "molecule_chembl_id": "CHEMBL1564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.86", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENYLPYRALINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955952", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955952, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenofibric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960032", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960032, "molecule_chembl_id": "CHEMBL1446", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.58", "alogp": "-7.29", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "KANAMYCIN A SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150868", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONDANSETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150868, "molecule_chembl_id": "CHEMBL46", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ONDANSETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150870", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150870, "molecule_chembl_id": "CHEMBL3109630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-366"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146432", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146432, "molecule_chembl_id": "CHEMBL8085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.19", "alogp": "-0.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-lysine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961460", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITHIAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961460, "molecule_chembl_id": "CHEMBL1872946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.18", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITHIAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147766", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECAINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147766, "molecule_chembl_id": "CHEMBL1097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.37", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acecainide hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152822", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TADALAFIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152822, "molecule_chembl_id": "CHEMBL779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.41", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TADALAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148327", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148327, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LANSOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147791", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147791, "molecule_chembl_id": "CHEMBL49302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.56", "alogp": "5.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY223982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147108", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SYMCLOSENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147108, "molecule_chembl_id": "CHEMBL1698868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.41", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYMCLOSENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151611", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "A-317491", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151611, "molecule_chembl_id": "CHEMBL596234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.58", "alogp": "6.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-317491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152676", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACLATASVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152676, "molecule_chembl_id": "CHEMBL2023898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "738.89", "alogp": "6.22", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daclatasvir dihydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955667", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLBUTANOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955667, "molecule_chembl_id": "CHEMBL1469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264634"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147902", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147902, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MUPIROCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152415", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152415, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHAVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147914", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147914, "molecule_chembl_id": "CHEMBL448502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-elemene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152999, "molecule_chembl_id": "CHEMBL3410246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.50", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152419", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152419, "molecule_chembl_id": "CHEMBL430405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A 922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148036", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148036, "molecule_chembl_id": "CHEMBL3191466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPA-124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1coc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956102", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956102, "molecule_chembl_id": "CHEMBL4520228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.30", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DF-2755A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C(=O)O)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960965", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960965, "molecule_chembl_id": "CHEMBL1357656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.22", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetylglycyl-D-glutamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150097", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150097, "molecule_chembl_id": "CHEMBL306147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960629", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960629, "molecule_chembl_id": "CHEMBL332148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-monomethylarginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](CCCNC(=N)N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955603", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPORINAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955603, "molecule_chembl_id": "CHEMBL566757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.52", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Daporinad\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956770", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956770, "molecule_chembl_id": "CHEMBL573578", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.42", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-NM-PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960503", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960503, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(3?;5?)-3-Hydroxy-pregnan-20-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962316", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAMIDRONATE DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962316, "molecule_chembl_id": "CHEMBL676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.03", "alogp": "-1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Pamidronate Disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961976", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOXAL PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961976, "molecule_chembl_id": "CHEMBL82202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.14", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(COP(=O)(O)O)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963101", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PITAVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963101, "molecule_chembl_id": "CHEMBL1237061", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "881.00", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pitavastatin calcium (Livalo)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959451", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959451, "molecule_chembl_id": "CHEMBL1161894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.38", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D609"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(S)OC1CC2CC1C1CCCC21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962197", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962197, "molecule_chembl_id": "CHEMBL1255832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.70", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU-224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2nc(C3=NCCN3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959483", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959483, "molecule_chembl_id": "CHEMBL257119", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.59", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-23766"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964088", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964088, "molecule_chembl_id": "CHEMBL4303668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.18", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-mimosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.053", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CN1C=CC(=O)C(=O)C1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151897", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151897, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "54"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151899", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151899, "molecule_chembl_id": "CHEMBL3185148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.32", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-98014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147395", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESATORVID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147395, "molecule_chembl_id": "CHEMBL225157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.82", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TAK-242 S enantiomer"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151901", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151901, "molecule_chembl_id": "CHEMBL4303373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.37", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxymatrine (Matrine N-oxide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@@H]3CCC[N+]4([O-])CCC[C@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151903", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151903, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sotrastaurin (AEB071)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151906", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151906, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bepridil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147409", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147409, "molecule_chembl_id": "CHEMBL3589649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenprocoumon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147410", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147410, "molecule_chembl_id": "CHEMBL32813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.17", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-pyridylethylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152124", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152124, "molecule_chembl_id": "CHEMBL1703636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147915", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPHOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147915, "molecule_chembl_id": "CHEMBL504760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAMPHOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148806", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148806, "molecule_chembl_id": "CHEMBL44657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.56", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Etoposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152574", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152574, "molecule_chembl_id": "CHEMBL1415927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.94", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-96544"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149984", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149984, "molecule_chembl_id": "CHEMBL305195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-25-6981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153348", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153348, "molecule_chembl_id": "CHEMBL480889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "550.70", "alogp": "3.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CUR-61414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153353", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PITAVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153353, "molecule_chembl_id": "CHEMBL1237061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "881.00", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pitavastatin calcium (Livalo)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148854", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148854, "molecule_chembl_id": "CHEMBL1411333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.24", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML 161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152114", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152114, "molecule_chembl_id": "CHEMBL2057912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCI-29732"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148142", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALOFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148142, "molecule_chembl_id": "CHEMBL1210954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Balofloxacin dihydrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147848", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147848, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOXZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152358", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152358, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VEMURAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148061, "molecule_chembl_id": "CHEMBL145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Caffeic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152566", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BATIMASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152566, "molecule_chembl_id": "CHEMBL279786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.65", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Batimastat (BB-94)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148350", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148350, "molecule_chembl_id": "CHEMBL3113165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.53", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960537", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960537, "molecule_chembl_id": "CHEMBL3747259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "718.62", "alogp": "3.33", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Salvianolic_acid B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145693", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145693, "molecule_chembl_id": "CHEMBL4303504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1435.24", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Norvancomycin (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](N)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147290", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIMIRALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147290, "molecule_chembl_id": "CHEMBL4084907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.39", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bimiralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961470", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961470, "molecule_chembl_id": "CHEMBL1374426", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCN1C(=O)C=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956577", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956577, "molecule_chembl_id": "CHEMBL3421914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.60", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DDR1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147358", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147358, "molecule_chembl_id": "CHEMBL4303709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.21", "alogp": "-3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetylmannosamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1[C@@H](O)OC(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151779", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151779, "molecule_chembl_id": "CHEMBL1232515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.55", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-1473759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962129", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962129, "molecule_chembl_id": "CHEMBL4303657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.88", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-316819"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961181", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRYPTOTANSHINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961181, "molecule_chembl_id": "CHEMBL187460", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cryptotanshinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958408", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KHELLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958408, "molecule_chembl_id": "CHEMBL44746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.24", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHELLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2c(OC)c2c(=O)cc(C)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959742", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959742, "molecule_chembl_id": "CHEMBL4303254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.51", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTT-3033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958500", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULTHIAME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958500, "molecule_chembl_id": "CHEMBL328560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.37", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULTHIAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959743", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959743, "molecule_chembl_id": "CHEMBL28", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958571", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUTRIMAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958571, "molecule_chembl_id": "CHEMBL2107430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.38", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Flutrimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963441", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAVARIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963441, "molecule_chembl_id": "CHEMBL216981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Navarixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958212", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958212, "molecule_chembl_id": "CHEMBL3616839", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963325", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963325, "molecule_chembl_id": "CHEMBL60264", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.36", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-258585"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958514", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RO-316233", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958514, "molecule_chembl_id": "CHEMBL266487", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bisindolylmaleimide IV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152105", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFACALCIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152105, "molecule_chembl_id": "CHEMBL1601669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Alfacalcidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152109", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMESETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152109, "molecule_chembl_id": "CHEMBL2107804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bemesetron\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957648", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FELODIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957648, "molecule_chembl_id": "CHEMBL1480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962426", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERGOLIDE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962426, "molecule_chembl_id": "CHEMBL1275", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pergolide mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07731", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152765, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CLOSANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152135", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESZOPICLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152135, "molecule_chembl_id": "CHEMBL1522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESZOPICLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147997", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147997, "molecule_chembl_id": "CHEMBL3088320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312880"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147998", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPINEPHRINE BITARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147998, "molecule_chembl_id": "CHEMBL1256958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.29", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPINEPHRINE BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957829", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957829, "molecule_chembl_id": "CHEMBL4558596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.78", "alogp": "1.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-368,899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2NC(=O)[C@H](N)CCS(C)(=O)=O)C3(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962539", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962539, "molecule_chembl_id": "CHEMBL1404407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.01", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOMERIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.486", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957942", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957942, "molecule_chembl_id": "CHEMBL275443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-METHYLHISTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc[nH]c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964212", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.66", "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964212, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MYRICETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959608", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959608, "molecule_chembl_id": "CHEMBL426123", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963918", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDROSPINGOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963918, "molecule_chembl_id": "CHEMBL448741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.52", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dihydrosphingosine; D-erythro"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962924", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962924, "molecule_chembl_id": "CHEMBL1554655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFTRinh-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.534", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964316", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.12", "bao_label": "assay format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964316, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7600.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964317", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964317, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MMV001438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959576", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959576, "molecule_chembl_id": "CHEMBL1897738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clinofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959273", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYZINE PAMOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959273, "molecule_chembl_id": "CHEMBL1200467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "763.29", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYZINE PAMOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959278", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959278, "molecule_chembl_id": "CHEMBL4303364", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.13", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-bromocamphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(Br)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963731", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963731, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltitrexed (Tomudex)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961881", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961881, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB-5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EZOGABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963733, "molecule_chembl_id": "CHEMBL41355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.34", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Retigabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963945", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATALUREN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963945, "molecule_chembl_id": "CHEMBL256997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.25", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PTC124 (Ataluren)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959606", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEMOTRIZINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959606, "molecule_chembl_id": "CHEMBL2104956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "627.83", "alogp": "9.48", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "BEMOTRIZINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958340", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANSHINONE IIA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958340, "molecule_chembl_id": "CHEMBL187266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANSHINONE IIA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959350", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959350, "molecule_chembl_id": "CHEMBL1413473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.35", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.655", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963052", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963052, "molecule_chembl_id": "CHEMBL25230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.61", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-373U86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.381", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958258", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958258, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964089", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964089, "molecule_chembl_id": "CHEMBL344127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR46611"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964101", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HONOKIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964101, "molecule_chembl_id": "CHEMBL16901", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Honokiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.005676", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959546", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959546, "molecule_chembl_id": "CHEMBL1871851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FORMESTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964301", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.52", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964301, "molecule_chembl_id": "CHEMBL508280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.38", "alogp": "2.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI-78D3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "300.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959626", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959626, "molecule_chembl_id": "CHEMBL1522836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.37", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BUCLADESINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.905", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)([O-])O[C@H]2[C@H]1OC(=O)CCC.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964233", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.82", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964233, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964311", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.91", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964311, "molecule_chembl_id": "CHEMBL154580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JAK3-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963231", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRIZOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963231, "molecule_chembl_id": "CHEMBL601719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Crizotinib (PF-02341066)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.972", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958633", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958633, "molecule_chembl_id": "CHEMBL304428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-218078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148820", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEISOINDIGO", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148820, "molecule_chembl_id": "CHEMBL607535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.30", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meisoindigo"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148672", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148672, "molecule_chembl_id": "CHEMBL4303370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Matrine ((+)-Matrine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153329", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153329, "molecule_chembl_id": "CHEMBL322970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.73", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-415286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147623", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IB-MECA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147623, "molecule_chembl_id": "CHEMBL119709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.29", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154196", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.93", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154196, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154286", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.09", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154286, "molecule_chembl_id": "CHEMBL1551597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.65", "alogp": "6.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-55-0396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151894", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151894, "molecule_chembl_id": "CHEMBL1204168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.67", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956462", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CROMOLYN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956462, "molecule_chembl_id": "CHEMBL428880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.37", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cromoglicic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961242", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVALBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961242, "molecule_chembl_id": "CHEMBL1201061", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levalbuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956354", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956354, "molecule_chembl_id": "CHEMBL258004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IRAK inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(NC2CCNCC2)nc(-c2cnc3ccccn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961419", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961419, "molecule_chembl_id": "CHEMBL4303327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.33", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK 3311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.967", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958451", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958451, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPROSTADIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963054", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963054, "molecule_chembl_id": "CHEMBL4303319", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SNG-1153"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.187", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(C(F)(F)F)cc3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964399", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.00", "bao_label": "assay format", "molecule_pref_name": "ACRIFLAVINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964399, "molecule_chembl_id": "CHEMBL1977761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Acriflavine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963967", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEOYL DOPAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963967, "molecule_chembl_id": "CHEMBL250711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.63", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963073", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963073, "molecule_chembl_id": "CHEMBL2141887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.30", "alogp": "5.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LIMKi-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958386", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958386, "molecule_chembl_id": "CHEMBL1720907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.66", "alogp": "-1.51", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "OUABAIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963851", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYSTEAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963851, "molecule_chembl_id": "CHEMBL1256137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "113.61", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYSTEAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAFINAMIDE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963852, "molecule_chembl_id": "CHEMBL48582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.46", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Safinamide Mesylate (FCE28073)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961960", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECLOFENAMATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961960, "molecule_chembl_id": "CHEMBL1562610", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECLOFENAMATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962998", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIVALIRUDIN TRIFLUOROACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962998, "molecule_chembl_id": "CHEMBL3989957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "2408.36", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Bivalirudin (Trifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.976", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962802", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962802, "molecule_chembl_id": "CHEMBL1256701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAN-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957703", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PNU-282987", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957703, "molecule_chembl_id": "CHEMBL177611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.76", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU 282987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957704", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957704, "molecule_chembl_id": "CHEMBL1230640", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963007", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963007, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPROSTADIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957155", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALONOSETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957155, "molecule_chembl_id": "CHEMBL1189679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "palonosetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957180", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957180, "molecule_chembl_id": "CHEMBL1334465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.38", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-408124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961760", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UMECLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961760, "molecule_chembl_id": "CHEMBL523299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.50", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Umeclidinium (bromide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961905", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961905, "molecule_chembl_id": "CHEMBL1568415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.36", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "10058-F4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C2/SC(=S)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959748", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959748, "molecule_chembl_id": "CHEMBL3039602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.30", "alogp": "-5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Lactobionic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955658", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYQUINOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955658, "molecule_chembl_id": "CHEMBL310555", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-Hydroxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960253", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEUCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960253, "molecule_chembl_id": "CHEMBL291962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.304", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961565", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961565, "molecule_chembl_id": "CHEMBL116159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Propylbenzoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.684", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153761", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153761, "molecule_chembl_id": "CHEMBL4303508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-673451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153547", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153547, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT-7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153661", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153661, "molecule_chembl_id": "CHEMBL2103875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.40", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRAMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148585", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROVAFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148585, "molecule_chembl_id": "CHEMBL1200779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.47", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trovafloxacin mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148876", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148876, "molecule_chembl_id": "CHEMBL4303195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.32", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4BP-TQS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(Br)cc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961915", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961915, "molecule_chembl_id": "CHEMBL188434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.41", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-747651A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957330", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALACYCLOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957330, "molecule_chembl_id": "CHEMBL1349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "valacyclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961697", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEQUINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961697, "molecule_chembl_id": "CHEMBL544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146662", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIENTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146662, "molecule_chembl_id": "CHEMBL609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.24", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trientine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151547", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1292263", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151547, "molecule_chembl_id": "CHEMBL3187503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.57", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK1292263"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151169", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151169, "molecule_chembl_id": "CHEMBL1392806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.44", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-278377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150989", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150989, "molecule_chembl_id": "CHEMBL4303491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.87", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJ 172550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150990", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150990, "molecule_chembl_id": "CHEMBL2182052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.50", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151374", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151374, "molecule_chembl_id": "CHEMBL4303276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.64", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "20-Hydroxyecdysone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151081", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-ALANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151081, "molecule_chembl_id": "CHEMBL279597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-alanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151427", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVOFOSFAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151427, "molecule_chembl_id": "CHEMBL260046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.04", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Evofosfamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146745", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146745, "molecule_chembl_id": "CHEMBL313120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "licarbazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145926", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145926, "molecule_chembl_id": "CHEMBL4576375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "3.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CPI-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC(C(C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961929", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961929, "molecule_chembl_id": "CHEMBL4303618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "heclin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961681", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOMOCAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961681, "molecule_chembl_id": "CHEMBL1407844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fomocain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957091", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957091, "molecule_chembl_id": "CHEMBL3824089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.64", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "eCF506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151539", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRANAPLAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151539, "molecule_chembl_id": "CHEMBL4290141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.49", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Branaplam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151164", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVOCERANIB MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151164, "molecule_chembl_id": "CHEMBL3545414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Apatinib mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957175", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957175, "molecule_chembl_id": "CHEMBL1182777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.30", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STO-609"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961772", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZIMELDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961772, "molecule_chembl_id": "CHEMBL2355333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.17", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "zimelidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9031", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961780", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961780, "molecule_chembl_id": "CHEMBL201945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.60", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAN-ORL-24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146178", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146178, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CRISABOROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146061, "molecule_chembl_id": "CHEMBL174588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 16259685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150490", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150490, "molecule_chembl_id": "CHEMBL200238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.63", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD007963"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLX-4720", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151247, "molecule_chembl_id": "CHEMBL1230020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.83", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PLX-4720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146443", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146443, "molecule_chembl_id": "CHEMBL70209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.28", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaltidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(-c2csc(N=C(N)N)n2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150951", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLODRONATE DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150951, "molecule_chembl_id": "CHEMBL1520188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.86", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Clodronate Disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146632", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYMECROMONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146632, "molecule_chembl_id": "CHEMBL12208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.17", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "HYMECHROME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150902", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150902, "molecule_chembl_id": "CHEMBL451332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004692"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151001", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOSEQUINAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151001, "molecule_chembl_id": "CHEMBL1908307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flosequinan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146401", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146401, "molecule_chembl_id": "CHEMBL3752151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NI-57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146595", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146595, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AR-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151107", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151107, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLANZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148577", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORINDIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148577, "molecule_chembl_id": "CHEMBL278519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.69", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153084", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153084, "molecule_chembl_id": "CHEMBL1188627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-202676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957112", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957112, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ASTEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961668, "molecule_chembl_id": "CHEMBL4303371", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+/-)-exo;exo-2;3-camphanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961669, "molecule_chembl_id": "CHEMBL3133807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.45", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bromosporine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.492", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957069", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957069, "molecule_chembl_id": "CHEMBL3105836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961670", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961670, "molecule_chembl_id": "CHEMBL3808844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.56", "alogp": "6.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LDC1267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957074", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RO-5045337", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957074, "molecule_chembl_id": "CHEMBL2386346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "727.80", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "RG7112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957081", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957081, "molecule_chembl_id": "CHEMBL2170016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.83", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HG-10-102-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957089", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957089, "molecule_chembl_id": "CHEMBL3798382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.91", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT-251921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961656", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSPEMIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961656, "molecule_chembl_id": "CHEMBL2105395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ospemifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.274", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961658", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLNAFTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961658, "molecule_chembl_id": "CHEMBL83668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLNAFTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961761", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FESOTERODINE FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961761, "molecule_chembl_id": "CHEMBL1201765", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.66", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fesoterodine Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146926", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146926, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151180", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151180, "molecule_chembl_id": "CHEMBL1086310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HC-030031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961771", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-7420", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961771, "molecule_chembl_id": "CHEMBL3330650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.22", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962242", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-2461", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962242, "molecule_chembl_id": "CHEMBL1822792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.56", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.886", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963884", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DINITOLMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963884, "molecule_chembl_id": "CHEMBL472565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DINITOLMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959181", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959181, "molecule_chembl_id": "CHEMBL611647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.81", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-CMTB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962453", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPHNETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962453, "molecule_chembl_id": "CHEMBL244948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.14", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Daphnetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(O)c(O)c2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963839", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963839, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bexarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.025", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961159", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961159, "molecule_chembl_id": "CHEMBL88588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-25543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960547", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960547, "molecule_chembl_id": "CHEMBL216543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indirubin-3-monoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956725", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956725, "molecule_chembl_id": "CHEMBL434063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW1929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956737", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956737, "molecule_chembl_id": "CHEMBL261491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Go 6983"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956738", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-1152-HQPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956738, "molecule_chembl_id": "CHEMBL215152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.57", "alogp": "3.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD1152-HQPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152133", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESIQUIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152133, "molecule_chembl_id": "CHEMBL383322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RESIQUIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152227", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-517", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152227, "molecule_chembl_id": "CHEMBL229430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AMG-517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148267", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY2452473", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148267, "molecule_chembl_id": "CHEMBL3542265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.44", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2452473"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961343", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961343, "molecule_chembl_id": "CHEMBL3334989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMeOB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.983", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956568", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956568, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960674", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960674, "molecule_chembl_id": "CHEMBL4303389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.44", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ilginatinib hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.992", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc(-c2cnn(C)c2)cc(Nc2cnccn2)n1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960488", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960488, "molecule_chembl_id": "CHEMBL32813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.17", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-pyridylethylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149167", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEPRAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149167, "molecule_chembl_id": "CHEMBL87708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.97", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lofepramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153780", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEDIPASVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153780, "molecule_chembl_id": "CHEMBL2374220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "889.02", "alogp": "8.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ledipasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153556", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153556, "molecule_chembl_id": "CHEMBL402548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Danusertib (PHA-739358)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152210", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152210, "molecule_chembl_id": "CHEMBL465980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147529", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMIROLAST POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147529, "molecule_chembl_id": "CHEMBL1201050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.31", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pemirolast (potassium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151793", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151793, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor (VX-770)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147295", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147295, "molecule_chembl_id": "CHEMBL2146722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.55", "alogp": "7.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-E-5006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(C(c2ccc(F)cc2)c2ccc(C(C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149020", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149020, "molecule_chembl_id": "CHEMBL1241767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.54", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153522", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153522, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MMV688774"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153215, "molecule_chembl_id": "CHEMBL543763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.85", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bifemelane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCCOc1ccccc1Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964297", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.24", "bao_label": "assay format", "molecule_pref_name": "ALDOXORUBICIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964297, "molecule_chembl_id": "CHEMBL2107818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "750.76", "alogp": "0.39", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Aldoxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "580.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958818", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFENALOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958818, "molecule_chembl_id": "CHEMBL127349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifenalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.891", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962233", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZNIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962233, "molecule_chembl_id": "CHEMBL110", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.25", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BZN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958268", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMSULOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958268, "molecule_chembl_id": "CHEMBL836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.52", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tamsulosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149500", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KAINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149500, "molecule_chembl_id": "CHEMBL275040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.23", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kainic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152448", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152448, "molecule_chembl_id": "CHEMBL3911801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "617.63", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2584702 tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154012", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACALCET", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154012, "molecule_chembl_id": "CHEMBL1201284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinacalcet hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149685", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POTASSIUM ANTIMONYL TARTRATE TRIHYDRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149685, "molecule_chembl_id": "CHEMBL1650312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.84", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Antimonyl (potassium tartrate trihydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150222", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150222, "molecule_chembl_id": "CHEMBL4303327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.33", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK 3311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962686", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOPHOCARPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962686, "molecule_chembl_id": "CHEMBL377725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sophocarpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.041", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958086", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENACYL CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958086, "molecule_chembl_id": "CHEMBL105712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.60", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENACYL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCl)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962688", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINEZOLID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962688, "molecule_chembl_id": "CHEMBL126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.35", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINEZOLID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958088", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958088, "molecule_chembl_id": "CHEMBL287837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.08", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004337"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1Cl)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150255", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALIDIXIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150255, "molecule_chembl_id": "CHEMBL5", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALIDIXIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153864", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COROSOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153864, "molecule_chembl_id": "CHEMBL391533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Corosolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150192", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150192, "molecule_chembl_id": "CHEMBL2178105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.68", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccccc2s1)c1cccc(C(Cl)(Cl)Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153452", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2,4-DINITROPHENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153452, "molecule_chembl_id": "CHEMBL273386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.11", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2;4-DINITROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962665", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FERULATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962665, "molecule_chembl_id": "CHEMBL32749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ferulic_acid (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962827, "molecule_chembl_id": "CHEMBL1256924", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "538.65", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-100635 Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962670", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAZUFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962670, "molecule_chembl_id": "CHEMBL240163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.30", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PAZUFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958622", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958622, "molecule_chembl_id": "CHEMBL1514751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.45", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-PMDQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958544", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEBUFENOZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958544, "molecule_chembl_id": "CHEMBL226968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.48", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEBUFENOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962683", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUDARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962683, "molecule_chembl_id": "CHEMBL1568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.24", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fludarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958244", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958244, "molecule_chembl_id": "CHEMBL1471674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959346", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAFUTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959346, "molecule_chembl_id": "CHEMBL1742461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lafutidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.766", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])Cc1ccco1)NC/C=C\\COc1cc(CN2CCCCC2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958253", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958253, "molecule_chembl_id": "CHEMBL1464269", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.72", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119468"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149319", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLAPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149319, "molecule_chembl_id": "CHEMBL521686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLAPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149541", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149541, "molecule_chembl_id": "CHEMBL4531203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.28", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYLISOTHIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSC(=N)N.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148234", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMEXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148234, "molecule_chembl_id": "CHEMBL1200617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.53", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rimexolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154045", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154045, "molecule_chembl_id": "CHEMBL4303571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.44", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetrindol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148237", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148237, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gilteritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149326", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149326, "molecule_chembl_id": "CHEMBL3775982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.31", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AY-9944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958288", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958288, "molecule_chembl_id": "CHEMBL3906219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-61.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958292", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958292, "molecule_chembl_id": "CHEMBL4554748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.47", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MESTEROLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(=O)CC2CCC3C4CCC(O)C4(C)CCC3C12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958297", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958297, "molecule_chembl_id": "CHEMBL329672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.71", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2ncnc3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962910", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW9508", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962910, "molecule_chembl_id": "CHEMBL207881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-9508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958310", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958310, "molecule_chembl_id": "CHEMBL285584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962264", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIGATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962264, "molecule_chembl_id": "CHEMBL3545311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.11", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Brigatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962357", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARAFENACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962357, "molecule_chembl_id": "CHEMBL1779046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.39", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tarafenacin (D-tartrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CL-976", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963668, "molecule_chembl_id": "CHEMBL22373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.57", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CI-976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963136", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEPANTRONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963136, "molecule_chembl_id": "CHEMBL2105734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.30", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "YM-155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958640", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CPI 613", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958640, "molecule_chembl_id": "CHEMBL3186849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.60", "alogp": "6.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CPI-613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958642, "molecule_chembl_id": "CHEMBL343545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.54", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE HEMISUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964289", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.39", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964289, "molecule_chembl_id": "CHEMBL4303622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.29", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PR-619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "410.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CSc1cc(SC#N)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964290", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.76", "bao_label": "assay format", "molecule_pref_name": "2-MERCAPTOBENZOTHIAZOLE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964290, "molecule_chembl_id": "CHEMBL111654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.26", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzo[d]thiazole-2(3H)-thione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1740.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963379", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DINOPROST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963379, "molecule_chembl_id": "CHEMBL815", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prostaglandin F2?"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959711", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FAMOTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959711, "molecule_chembl_id": "CHEMBL902", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMOTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149498", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BASMISANIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149498, "molecule_chembl_id": "CHEMBL3681419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.47", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BASMISANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959579", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959579, "molecule_chembl_id": "CHEMBL3039196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1131.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ESCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(CO)C(CC1(C)C)C1=CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958272", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHISTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958272, "molecule_chembl_id": "CHEMBL241694", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETHISTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958727", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERILLYL ALCOHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958727, "molecule_chembl_id": "CHEMBL236687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "perillyl-alcohol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC=C(CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149353", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149353, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Teriflunomide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152256", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152256, "molecule_chembl_id": "CHEMBL603764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADENOSINE 5-MONOPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963948", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963948, "molecule_chembl_id": "CHEMBL1235786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "535.67", "alogp": "5.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Mps1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.264", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVASIMIBE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962733, "molecule_chembl_id": "CHEMBL101309", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.73", "alogp": "7.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Avasimibe (CI-1011)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959698", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINEPAZET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959698, "molecule_chembl_id": "CHEMBL2110784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.45", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinepazet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CN1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959700", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959700, "molecule_chembl_id": "CHEMBL2106126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.01", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Delapril HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.146", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957868", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957868, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "bosutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963031", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963031, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963443", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-8835", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963443, "molecule_chembl_id": "CHEMBL3894518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD-8835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152443", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICALUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152443, "molecule_chembl_id": "CHEMBL409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bicalutamide (Casodex)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962800", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CISPLATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962800, "molecule_chembl_id": "CHEMBL2068237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CISPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962999, "molecule_chembl_id": "CHEMBL447347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ST-1859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149507", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149507, "molecule_chembl_id": "CHEMBL1870764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.16", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRT0044876"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149982", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149982, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957019", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SU-9516", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957019, "molecule_chembl_id": "CHEMBL258805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SU9516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147277", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147277, "molecule_chembl_id": "CHEMBL25101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.54", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naspm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956947", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956947, "molecule_chembl_id": "CHEMBL4590257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SB-743921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)C(c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149142", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149142, "molecule_chembl_id": "CHEMBL488910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.58", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ko 143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154563", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUMATINIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154563, "molecule_chembl_id": "CHEMBL3545413", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "562.60", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Flumatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150071", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SR-3677", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150071, "molecule_chembl_id": "CHEMBL521179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.46", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-3677"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149378", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APAFANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149378, "molecule_chembl_id": "CHEMBL280164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.97", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apafant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153880", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153880, "molecule_chembl_id": "CHEMBL140979", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.51", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JTC-801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153994, "molecule_chembl_id": "CHEMBL112388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "875.11", "alogp": "5.60", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ivermectin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C1OC2(CCC1C)CC1CC(C/C=C(\\C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)/C=C/C=C3\\COC4C(O)C(C)=CC(C(=O)O1)C34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149615", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149615, "molecule_chembl_id": "CHEMBL1078974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.58", "alogp": "1.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EG00229"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149617", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCHROMYCINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149617, "molecule_chembl_id": "CHEMBL256705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ochromycinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149960", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149960, "molecule_chembl_id": "CHEMBL1559414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-605471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150037", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDAZAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150037, "molecule_chembl_id": "CHEMBL1089221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bendazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1nn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154540", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CENICRIVIROC", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154540, "molecule_chembl_id": "CHEMBL2110727", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "696.96", "alogp": "8.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "CENICRIVIROC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154657", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154657, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154543", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154543, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150479", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150479, "molecule_chembl_id": "CHEMBL178372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150510", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150510, "molecule_chembl_id": "CHEMBL371811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.24", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DFB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cccc(/C=N/N=C/c2cccc(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150513", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOFLAXONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150513, "molecule_chembl_id": "CHEMBL443793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.28", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(4-oxo-2-phenyl-4H-chromen-8-yl)acetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150515", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150515, "molecule_chembl_id": "CHEMBL766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151774", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARBOFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151774, "molecule_chembl_id": "CHEMBL478120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Marbofloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147011", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPRANOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147011, "molecule_chembl_id": "CHEMBL305380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bupranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150607", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150607, "molecule_chembl_id": "CHEMBL1476646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.52", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-63802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\\C#N)c2nc3ccccc3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146229", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146229, "molecule_chembl_id": "CHEMBL25599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.21", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCMQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cc2ccccc2nc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146112", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146112, "molecule_chembl_id": "CHEMBL4303335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.16", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-405020"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152414", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152414, "molecule_chembl_id": "CHEMBL474991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.63", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-207024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152534", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152534, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146034", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLIBRESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146034, "molecule_chembl_id": "CHEMBL1232461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.90", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK 525762A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147922", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147922, "molecule_chembl_id": "CHEMBL567850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.39", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154249", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.28", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154249, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154250", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.23", "bao_label": "organism-based format", "molecule_pref_name": "GOLVATINIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154250, "molecule_chembl_id": "CHEMBL3039525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "633.70", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Golvatinib (E7050)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5890.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153203", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153203, "molecule_chembl_id": "CHEMBL3187798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.26", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OAC1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153359", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153359, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRYPTOPHAN (L)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150932", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2S,4R-4-METHYLGLUTAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150932, "molecule_chembl_id": "CHEMBL288166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.16", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYM 2081"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150739", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZBROMARONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150739, "molecule_chembl_id": "CHEMBL388590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.09", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZBROMARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150740", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150740, "molecule_chembl_id": "CHEMBL484928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-50481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151112", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151112, "molecule_chembl_id": "CHEMBL61723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.33", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCO 400"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150592", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150592, "molecule_chembl_id": "CHEMBL1255781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.35", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-203186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146493", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUVOGLUSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146493, "molecule_chembl_id": "CHEMBL307429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MIGALASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151008", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIAROZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151008, "molecule_chembl_id": "CHEMBL2105015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.23", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "liarozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(C(c2ccc3[nH]cnc3c2)n2ccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151020", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151020, "molecule_chembl_id": "CHEMBL25146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amfenac sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150915", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150915, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EPALRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151025", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORSULON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151025, "molecule_chembl_id": "CHEMBL1474129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clorsulon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150893", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150893, "molecule_chembl_id": "CHEMBL1077990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTS01037"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150748", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYLPARABEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150748, "molecule_chembl_id": "CHEMBL15841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL PARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145815", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145815, "molecule_chembl_id": "CHEMBL1236027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.64", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sphingosylphosphorylcholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[P@](=O)(O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145821", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145821, "molecule_chembl_id": "CHEMBL134915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.46", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 61-8048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145884", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145884, "molecule_chembl_id": "CHEMBL3782109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.47", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DDP-38003 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145642, "molecule_chembl_id": "CHEMBL2177300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.92", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "I-BET726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151833", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLSELENOCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151833, "molecule_chembl_id": "CHEMBL62382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.08", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "Se-methylseleno-L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[Se]C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145803", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145803, "molecule_chembl_id": "CHEMBL130865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.16", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxfenicine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145721", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNIFLUMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145721, "molecule_chembl_id": "CHEMBL1081506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.34", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "talniflumate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145665", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145665, "molecule_chembl_id": "CHEMBL4098877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145730", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145730, "molecule_chembl_id": "CHEMBL81099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.32", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-616U"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145998", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145998, "molecule_chembl_id": "CHEMBL1568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.24", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fludarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149746", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149746, "molecule_chembl_id": "CHEMBL3185782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.34", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kartogenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150393", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150393, "molecule_chembl_id": "CHEMBL1322608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUNISOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149161", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149161, "molecule_chembl_id": "CHEMBL4303537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.36", "alogp": "-2.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Regadenoson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148843", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL DECANOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148843, "molecule_chembl_id": "CHEMBL1200986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.12", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "haloperidol-decanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146428", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOXAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146428, "molecule_chembl_id": "CHEMBL453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146201", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146201, "molecule_chembl_id": "CHEMBL4570175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.30", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-7975A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150704", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150704, "molecule_chembl_id": "CHEMBL3582252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-1/PD-L1 inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146410", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146410, "molecule_chembl_id": "CHEMBL1436386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-298198-desmethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146518", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146518, "molecule_chembl_id": "CHEMBL1671898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.92", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CJ-033466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(C)C)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151011", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMSULOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151011, "molecule_chembl_id": "CHEMBL1200914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.98", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tamsulosin_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146254", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146254, "molecule_chembl_id": "CHEMBL2105082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.39", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gemcadiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)CCCCCCC(C)(C)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145689", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIRABRESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145689, "molecule_chembl_id": "CHEMBL3581647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OTX015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150942", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZNIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150942, "molecule_chembl_id": "CHEMBL110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.25", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benznidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145691", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145691, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELBAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151375", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151375, "molecule_chembl_id": "CHEMBL247070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AIM-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151398", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMARIGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151398, "molecule_chembl_id": "CHEMBL2105762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "1.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omarigliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152956", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152956, "molecule_chembl_id": "CHEMBL1201061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levalbuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151475", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NSI-189", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151475, "molecule_chembl_id": "CHEMBL4302505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.51", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NSI-189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145790", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145790, "molecule_chembl_id": "CHEMBL16217", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-tert-butylphenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152435", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152435, "molecule_chembl_id": "CHEMBL1403575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMR000040087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147934", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147934, "molecule_chembl_id": "CHEMBL1255841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R(+)-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@H](c2cccc(O)c2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147195", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIZOXIME SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147195, "molecule_chembl_id": "CHEMBL1201019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.39", "alogp": "-0.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ceftizoxime sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153708", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAZARTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153708, "molecule_chembl_id": "CHEMBL3787344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nazartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147110", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPHOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147110, "molecule_chembl_id": "CHEMBL504760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(+)-Camphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150461", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150461, "molecule_chembl_id": "CHEMBL22304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.21", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(CCCP(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145961", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145961, "molecule_chembl_id": "CHEMBL43152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.31", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-166793"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153641", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153641, "molecule_chembl_id": "CHEMBL3105836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149247, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olcegepant\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153460", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153460, "molecule_chembl_id": "CHEMBL511565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riboflavin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153757", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153757, "molecule_chembl_id": "CHEMBL262766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.33", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV1530386"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148960", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148960, "molecule_chembl_id": "CHEMBL3561133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.49", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminopentamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146361", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146361, "molecule_chembl_id": "CHEMBL201945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.60", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAN-ORL-24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148859", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERIPRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148859, "molecule_chembl_id": "CHEMBL70927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEFERIPRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)ccn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149321", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPROPERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149321, "molecule_chembl_id": "CHEMBL2105910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.45", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benproperine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1Cc1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151000", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPOXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151000, "molecule_chembl_id": "CHEMBL2110900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dapoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146507", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORANTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146507, "molecule_chembl_id": "CHEMBL274654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "orantinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147325", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTENZEPAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147325, "molecule_chembl_id": "CHEMBL17045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001247077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151486", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151486, "molecule_chembl_id": "CHEMBL169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ursolic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145647", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145647, "molecule_chembl_id": "CHEMBL4578753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.33", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC HSD 21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N2C(=O)/C(=C\\c3ccc(O)c(Br)c3)SC2=S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152795", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152795, "molecule_chembl_id": "CHEMBL576786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.49", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JZL184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTUGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152668, "molecule_chembl_id": "CHEMBL1770248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.89", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERTUGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148296", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIBUTEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148296, "molecule_chembl_id": "CHEMBL1605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ceftibuten (dihydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147804", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147804, "molecule_chembl_id": "CHEMBL304461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.38", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sclareolide (Norambreinolide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OC(=O)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960791", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960791, "molecule_chembl_id": "CHEMBL4203266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.96", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.271", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152104", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUISQUALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152104, "molecule_chembl_id": "CHEMBL279956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.13", "alogp": "-2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUISQUALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960804", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CX516", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960804, "molecule_chembl_id": "CHEMBL136800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ampalex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2nccnc2c1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956033", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARTHENOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956033, "molecule_chembl_id": "CHEMBL540445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Parthenolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960821", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960821, "molecule_chembl_id": "CHEMBL1316726", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-Urocanic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956230", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956230, "molecule_chembl_id": "CHEMBL4577351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C\\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956393", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIRSOCOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956393, "molecule_chembl_id": "CHEMBL3407547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.64", "alogp": "3.95", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ND-630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956235", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRISMETHOXYRESVERATROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956235, "molecule_chembl_id": "CHEMBL296411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.33", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-trismethoxy Resveratrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960744", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBOXYLIC ACID METABOLITE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960744, "molecule_chembl_id": "CHEMBL907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.90", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxylosartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956837", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956837, "molecule_chembl_id": "CHEMBL116590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.44", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzatropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955741", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALOFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955741, "molecule_chembl_id": "CHEMBL1210954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Balofloxacin dihydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152772", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152772, "molecule_chembl_id": "CHEMBL4303552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "117.11", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitrosodimethylurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)N(C)N=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152777", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152777, "molecule_chembl_id": "CHEMBL157101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "KETOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148295", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DERACOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148295, "molecule_chembl_id": "CHEMBL28636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DERACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956017", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956017, "molecule_chembl_id": "CHEMBL105318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.22", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Alovudine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956311", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "R-1487", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956311, "molecule_chembl_id": "CHEMBL1230122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.37", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R-1487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145645", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145645, "molecule_chembl_id": "CHEMBL2442630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.20", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "P7C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145682", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145682, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152311", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FISETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152311, "molecule_chembl_id": "CHEMBL31574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fisetin (Fustel)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961066", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUMANIROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961066, "molecule_chembl_id": "CHEMBL419792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "sumanirole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146488", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146488, "molecule_chembl_id": "CHEMBL2315158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DSR-6434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146273", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146273, "molecule_chembl_id": "CHEMBL4303695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-3861"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2C=C(c3sccc3Br)CC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146130", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPROGIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146130, "molecule_chembl_id": "CHEMBL1289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "haloprogin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cc(Cl)c(OCC#CI)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151463", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151463, "molecule_chembl_id": "CHEMBL1345380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.40", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROGLUMIDE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151439", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151439, "molecule_chembl_id": "CHEMBL4303581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Gastrodin (Gastrodine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146483", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146483, "molecule_chembl_id": "CHEMBL1410669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TERCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146642", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146642, "molecule_chembl_id": "CHEMBL1306484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.25", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-311475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n2c3c(cccc13)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146571", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXIBUPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146571, "molecule_chembl_id": "CHEMBL175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXIBUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150882", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOCARLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150882, "molecule_chembl_id": "CHEMBL214920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.59", "alogp": "6.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TIOCARLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146592", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMAXANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146592, "molecule_chembl_id": "CHEMBL276711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMAXANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150630", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150630, "molecule_chembl_id": "CHEMBL1310336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "5.57", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML-193"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150916", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIRUBIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150916, "molecule_chembl_id": "CHEMBL1276127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Indirubin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148562", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RELUGOLIX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148562, "molecule_chembl_id": "CHEMBL1800159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.64", "alogp": "3.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Relugolix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153068", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153068, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLSTILBESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150787", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150787, "molecule_chembl_id": "CHEMBL93655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPL-64176"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148575", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148575, "molecule_chembl_id": "CHEMBL3823101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-9564"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147991", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURSOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147991, "molecule_chembl_id": "CHEMBL485549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFURSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960191", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SESAMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960191, "molecule_chembl_id": "CHEMBL252915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sesamin (Fagarol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.141", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960200", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FURAZOLIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960200, "molecule_chembl_id": "CHEMBL1103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FURAZOLIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955831", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955831, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOFARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960987", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZYDAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960987, "molecule_chembl_id": "CHEMBL1528134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.87", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZYDAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960237", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960237, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956217", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALUTEOLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956217, "molecule_chembl_id": "CHEMBL233929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.38", "alogp": "-0.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Luteoloside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956553, "molecule_chembl_id": "CHEMBL3941037", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-7300243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(CC(=O)O)cc2)cc(OC)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961466", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARTEMETHER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961466, "molecule_chembl_id": "CHEMBL566534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artemether"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960834", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSI-930", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960834, "molecule_chembl_id": "CHEMBL1614710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.45", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSI-930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.377", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961119", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961119, "molecule_chembl_id": "CHEMBL510698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.67", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-0070907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956584", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956584, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG 487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956273", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROTOCATECHUIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956273, "molecule_chembl_id": "CHEMBL37537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROTOCATECHUIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960483", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960483, "molecule_chembl_id": "CHEMBL4303499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.53", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CC4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955852, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Adavosertib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960196", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSTAFUROXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960196, "molecule_chembl_id": "CHEMBL2068971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rostafuroxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960447", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FILGOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960447, "molecule_chembl_id": "CHEMBL3301607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Filgotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955962", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLAMOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955962, "molecule_chembl_id": "CHEMBL418192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tolamolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960449", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEVIRIMAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960449, "molecule_chembl_id": "CHEMBL404519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.84", "alogp": "8.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Bevirimat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955720", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACECAINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955720, "molecule_chembl_id": "CHEMBL1097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.37", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acecainide hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955946", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXSOTALOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955946, "molecule_chembl_id": "CHEMBL252312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.37", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Sotalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956087", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BATEFENTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956087, "molecule_chembl_id": "CHEMBL3039518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "740.26", "alogp": "6.43", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Batefenterol succinate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147495", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEKALANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147495, "molecule_chembl_id": "CHEMBL360861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.46", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifekalant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148179", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMEBUTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148179, "molecule_chembl_id": "CHEMBL190044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Trimebutine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148184", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148184, "molecule_chembl_id": "CHEMBL477121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMD-3465"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153505", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153505, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153506", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153506, "molecule_chembl_id": "CHEMBL248183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PKC-theta inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149865", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VACTOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149865, "molecule_chembl_id": "CHEMBL3260567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EW-7197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154090", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154090, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IVACAFTOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149869", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIBUTRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149869, "molecule_chembl_id": "CHEMBL3989830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sibutramine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148177", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148177, "molecule_chembl_id": "CHEMBL279841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.44", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MM77"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148181", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148181, "molecule_chembl_id": "CHEMBL2106589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.80", "alogp": "5.62", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Enocitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147498", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLCITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147498, "molecule_chembl_id": "CHEMBL3301606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SOLCITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147499", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147499, "molecule_chembl_id": "CHEMBL578988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.18", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(1R,2S)-VU0155041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147500", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147500, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cx-4945 (Silmitasertib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154075", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154075, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "bosutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154155", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154155, "molecule_chembl_id": "CHEMBL4532742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.62", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "VANOXERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153734", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARIMASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153734, "molecule_chembl_id": "CHEMBL279785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.41", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MARIMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151860", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAVORIXAFOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151860, "molecule_chembl_id": "CHEMBL518924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AMD-070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151617", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151617, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefdinir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149123", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROPIRIMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149123, "molecule_chembl_id": "CHEMBL37387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.10", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bropirimine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c(Br)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151618", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151618, "molecule_chembl_id": "CHEMBL4303465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.18", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "gallium-triquinolin-8-olate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960672", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960672, "molecule_chembl_id": "CHEMBL460472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "4.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMG458"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.683", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956289", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTHIOPYRAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956289, "molecule_chembl_id": "CHEMBL2251844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.42", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENTHIOPYRAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961190", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961190, "molecule_chembl_id": "CHEMBL4301645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.33", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-LSD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960459", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEBOPRIDE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960459, "molecule_chembl_id": "CHEMBL1599248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.96", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clebopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152557", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152557, "molecule_chembl_id": "CHEMBL460273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.46", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 1661010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956702", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956702, "molecule_chembl_id": "CHEMBL3108827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1015.31", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AZD5582"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956675", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLURANDRENOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956675, "molecule_chembl_id": "CHEMBL1201012", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.52", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLURANDRENOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956715", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956715, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALTRETAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154650", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154650, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148583", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148583, "molecule_chembl_id": "CHEMBL4303462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.61", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A12B4C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(O)C1C=CC2C(=O)N(c3ccccc3)C(=O)C2N1Nc1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955883", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIVAGABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955883, "molecule_chembl_id": "CHEMBL1870796", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.24", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Pivagabine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961594", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961594, "molecule_chembl_id": "CHEMBL279218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFM-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(c1ccc(N)cc1)=NNC(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961600", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CREATINOLFOSFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961600, "molecule_chembl_id": "CHEMBL2104114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.13", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOP(=O)(O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961607", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-7603", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961607, "molecule_chembl_id": "CHEMBL2331680", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.56", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GDC-0349"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958888", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AROTINOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958888, "molecule_chembl_id": "CHEMBL93298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.55", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Arotinolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962963", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962963, "molecule_chembl_id": "CHEMBL2088036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NNC-63-0532"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963512", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963512, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nelarabine (Arranon)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.439", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964011", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964011, "molecule_chembl_id": "CHEMBL3329704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.37", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aloperine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.148", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C2CCCN[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962344", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAPROXEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962344, "molecule_chembl_id": "CHEMBL154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.26", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPROXEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963541", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963541, "molecule_chembl_id": "CHEMBL330038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "-2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S)-5-Amino-2-(2-aminoacetamido)-5-oxopentanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957856", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XYLAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957856, "molecule_chembl_id": "CHEMBL297362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XYLAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC1=NCCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958468", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROPHENYLPIPERAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958468, "molecule_chembl_id": "CHEMBL478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CHLOROPHENYLPIPERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(N2CCNCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959434", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959434, "molecule_chembl_id": "CHEMBL4303225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.42", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIM-0216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C(c2ccccc2)N2CCCc3ccccc32)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958826", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958826, "molecule_chembl_id": "CHEMBL293375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.44", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESTROPIPATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958320", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958320, "molecule_chembl_id": "CHEMBL408982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146983", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMPENTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146983, "molecule_chembl_id": "CHEMBL417096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "impentamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146030", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146030, "molecule_chembl_id": "CHEMBL101690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY334370"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150531", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINIDINE GLUCONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150531, "molecule_chembl_id": "CHEMBL1200437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.58", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUINIDINE GLUCONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147433", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NYLIDRIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147433, "molecule_chembl_id": "CHEMBL1204337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NYLIDRIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146400", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146400, "molecule_chembl_id": "CHEMBL1395823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.37", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS-20625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc3c4c([nH]cc-3c2=O)CCCCC4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150521", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-431542", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150521, "molecule_chembl_id": "CHEMBL440084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-431542"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152649", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152649, "molecule_chembl_id": "CHEMBL46909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.35", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149750", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149750, "molecule_chembl_id": "CHEMBL1206690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Parecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147320", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147320, "molecule_chembl_id": "CHEMBL4303275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.40", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR131675"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149427", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149427, "molecule_chembl_id": "CHEMBL3215749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.48", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-13069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152594", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152594, "molecule_chembl_id": "CHEMBL1471698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.46", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-636045"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1sc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963399", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963399, "molecule_chembl_id": "CHEMBL97162", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-239063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962828", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHS-828", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962828, "molecule_chembl_id": "CHEMBL17289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CHS-828"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN/C(=N\\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958019", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958019, "molecule_chembl_id": "CHEMBL562737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.40", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119139"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958106", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958106, "molecule_chembl_id": "CHEMBL2031084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.53", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRT10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962633", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962633, "molecule_chembl_id": "CHEMBL399530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT018159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959714", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERINDOPRILAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959714, "molecule_chembl_id": "CHEMBL1201368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.42", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PERINDOPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963585", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-7762", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963585, "molecule_chembl_id": "CHEMBL2041933", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD7762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958981", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958981, "molecule_chembl_id": "CHEMBL3039466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.976", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963589", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-548", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963589, "molecule_chembl_id": "CHEMBL585902", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.57", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AMG-548"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958360", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958360, "molecule_chembl_id": "CHEMBL186422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-OXOQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958985", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFINPYRAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958985, "molecule_chembl_id": "CHEMBL832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFINPYRAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963596", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963596, "molecule_chembl_id": "CHEMBL1231795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.74", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963532", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963532, "molecule_chembl_id": "CHEMBL3222137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.53", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "T-5224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958910", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACIFRAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958910, "molecule_chembl_id": "CHEMBL278488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acifran"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(c2ccccc2)OC(C(=O)O)=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958934", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOCARBAMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958934, "molecule_chembl_id": "CHEMBL1201117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOCARBAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957776", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957776, "molecule_chembl_id": "CHEMBL2325697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957777", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957777, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRALATREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "113.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957783", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRINABEREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957783, "molecule_chembl_id": "CHEMBL450940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.25", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRINABEREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-54.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958218", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958218, "molecule_chembl_id": "CHEMBL267373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "121.14", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958957", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXOPRENALINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958957, "molecule_chembl_id": "CHEMBL1589896", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Hexoprenaline sulphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958229", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958229, "molecule_chembl_id": "CHEMBL1528069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2nc(C)cc2C)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958997", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHALEXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958997, "molecule_chembl_id": "CHEMBL1727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalexin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958837", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENOXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958837, "molecule_chembl_id": "CHEMBL302795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TENOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959182", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHINDENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959182, "molecule_chembl_id": "CHEMBL22108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimetindene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963798", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963798, "molecule_chembl_id": "CHEMBL2106178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tromaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963971", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963971, "molecule_chembl_id": "CHEMBL325226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPY-5RA972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959371", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959371, "molecule_chembl_id": "CHEMBL161702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPA inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)CN(O)C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963392", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963392, "molecule_chembl_id": "CHEMBL2425825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.27", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-3035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(/C=C2\\SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959380", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959380, "molecule_chembl_id": "CHEMBL1483341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "azapropazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6258", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H]1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963985", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PILARALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963985, "molecule_chembl_id": "CHEMBL3218575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.53", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL147 analogue"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963987", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963987, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RESERPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959383", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959383, "molecule_chembl_id": "CHEMBL1316674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-36"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCCO)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959384", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959384, "molecule_chembl_id": "CHEMBL1316368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.38", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Articaine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963352", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXISYLYTE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963352, "molecule_chembl_id": "CHEMBL1256739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOXISYLYTE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963355", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIPTOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963355, "molecule_chembl_id": "CHEMBL463763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triptolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.471", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959429", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCORTISONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959429, "molecule_chembl_id": "CHEMBL389621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958437", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958437, "molecule_chembl_id": "CHEMBL565795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.15", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963043", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963043, "molecule_chembl_id": "CHEMBL1793884", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.42", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phortress"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H](N)CCCCN.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958999, "molecule_chembl_id": "CHEMBL4303514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.46", "alogp": "6.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(1E)-1-(2-hydroxy-5-methylphenyl)-1-dodecanone oxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.506", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(N=O)c1cc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963796", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963796, "molecule_chembl_id": "CHEMBL243001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YIL-781"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958516", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHYL CELECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958516, "molecule_chembl_id": "CHEMBL2163630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.41", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHYL CELECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963977", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARIFENACIN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963977, "molecule_chembl_id": "CHEMBL1200935", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DARIFENACIN HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145819", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145819, "molecule_chembl_id": "CHEMBL215134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.28", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 23 [PMID: 17125252]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccc(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957885", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957885, "molecule_chembl_id": "CHEMBL504548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.77", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASENAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962572", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITAXENTAN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962572, "molecule_chembl_id": "CHEMBL2105740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.90", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sitaxsentan (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.836", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962587", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962587, "molecule_chembl_id": "CHEMBL266591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methyl-5-hydroxytryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(O)cc2c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957989", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957989, "molecule_chembl_id": "CHEMBL404609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IKK2 Inhibitor VI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958860", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958860, "molecule_chembl_id": "CHEMBL4303199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "casin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962553, "molecule_chembl_id": "CHEMBL1557167", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "norcyclobenzaprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963349", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDROPHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963349, "molecule_chembl_id": "CHEMBL1128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDROPHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963602", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETABEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963602, "molecule_chembl_id": "CHEMBL31907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.57", "alogp": "7.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cetaben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959280", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959280, "molecule_chembl_id": "CHEMBL275655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "117.15", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-methyl-GABA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963886", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963886, "molecule_chembl_id": "CHEMBL375270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.68", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-9662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959103", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESCITALOPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959103, "molecule_chembl_id": "CHEMBL1508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "citalopram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963901", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963901, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPRIFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963904", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HESPERIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963904, "molecule_chembl_id": "CHEMBL449317", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145820", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145820, "molecule_chembl_id": "CHEMBL1363184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY303511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963505", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "7-CHLOROKYNURENIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963505, "molecule_chembl_id": "CHEMBL311389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.62", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-chlorokynurenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2ccc(Cl)cc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963394", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963394, "molecule_chembl_id": "CHEMBL3353411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ5104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962821", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TESTOLACTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962821, "molecule_chembl_id": "CHEMBL1571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Testolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959494", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959494, "molecule_chembl_id": "CHEMBL573107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-D1870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955924", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALNIFLUMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955924, "molecule_chembl_id": "CHEMBL1081506", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.34", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Talniflumate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955930", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOLDOPAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955930, "molecule_chembl_id": "CHEMBL588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.76", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenoldopam mesilate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152090", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152090, "molecule_chembl_id": "CHEMBL4303292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.49", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APY0201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147589", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN MORPHOLINYLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147589, "molecule_chembl_id": "CHEMBL72631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.90", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956457", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDROXYPROGESTERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956457, "molecule_chembl_id": "CHEMBL717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEDROXYPROGESTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956643", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956643, "molecule_chembl_id": "CHEMBL46909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.35", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147605", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANDOLAPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147605, "molecule_chembl_id": "CHEMBL1519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trandolapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151409", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAVORIXAFOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151409, "molecule_chembl_id": "CHEMBL518924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AMD-070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147086", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147086, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147573", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147573, "molecule_chembl_id": "CHEMBL254781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBD-556"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961037", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOBOSARM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961037, "molecule_chembl_id": "CHEMBL1738889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MK-2866 (GTx-024)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.495", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145566", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAVOGLURANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145566, "molecule_chembl_id": "CHEMBL3087515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mavoglurant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960638", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960638, "molecule_chembl_id": "CHEMBL3342553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.53", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 3000328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955863", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPROTHIXENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955863, "molecule_chembl_id": "CHEMBL908", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.87", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Chlorprothixene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960684", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960684, "molecule_chembl_id": "CHEMBL1551988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "760.79", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxotremorine sesquifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C1CCCN1CC#CCN1CCCC1.O=C1CCCN1CC#CCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959632", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CICLOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959632, "molecule_chembl_id": "CHEMBL2104122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cicloprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959637", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959637, "molecule_chembl_id": "CHEMBL1577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyclothiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959943", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIZANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959943, "molecule_chembl_id": "CHEMBL1200329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.18", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tizanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955550", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RACEMETYROSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955550, "molecule_chembl_id": "CHEMBL1330596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Metirosine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955710", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUBITECAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955710, "molecule_chembl_id": "CHEMBL77305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.36", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "9-Nitrocamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960170", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEMCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960170, "molecule_chembl_id": "CHEMBL888", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.20", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960174", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMBENONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960174, "molecule_chembl_id": "CHEMBL1200541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "608.48", "alogp": "4.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ambenonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961275", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961275, "molecule_chembl_id": "CHEMBL304461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.38", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sclareolide (Norambreinolide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.371", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OC(=O)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SYMCLOSENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961198, "molecule_chembl_id": "CHEMBL1698868", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.41", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYMCLOSENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960332", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NECA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960332, "molecule_chembl_id": "CHEMBL464859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.30", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956480", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOBELINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956480, "molecule_chembl_id": "CHEMBL122270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Lobeline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961439", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961439, "molecule_chembl_id": "CHEMBL514622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.45", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JK-184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955757", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LICARBAZEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955757, "molecule_chembl_id": "CHEMBL1067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Licarbazepine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959954", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASP-3026", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959954, "molecule_chembl_id": "CHEMBL3545360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.76", "alogp": "3.77", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ASP3026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.431", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955687", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955687, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulindac\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-80.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959753", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENIDOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959753, "molecule_chembl_id": "CHEMBL1529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.91", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diphenidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960018", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960018, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine (Fanchinine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.743", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956593", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956593, "molecule_chembl_id": "CHEMBL1394350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.12", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITSA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1Cl)n1nnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956598", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956598, "molecule_chembl_id": "CHEMBL3184132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.40", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960141", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960141, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFASALAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150208", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIPOIC ACID, ALPHA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150208, "molecule_chembl_id": "CHEMBL33864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lipoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150223", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150223, "molecule_chembl_id": "CHEMBL1357941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.56", "alogp": "5.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MRS1334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1C#Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148884", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMEFOLATE CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148884, "molecule_chembl_id": "CHEMBL1615371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.53", "alogp": "-0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Levomefolate (calcium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFMETAZOLE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149994, "molecule_chembl_id": "CHEMBL1201118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.53", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFMETAZOLE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151578", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151578, "molecule_chembl_id": "CHEMBL425027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC 55649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149112", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149112, "molecule_chembl_id": "CHEMBL2105358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RACTOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959823", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959823, "molecule_chembl_id": "CHEMBL3184878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiazovivin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.579", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146064", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146064, "molecule_chembl_id": "CHEMBL378642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "994.21", "alogp": "-3.04", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Atosiban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146584", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRODENAFIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146584, "molecule_chembl_id": "CHEMBL4297518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.68", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Mirodenafil (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150579", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150579, "molecule_chembl_id": "CHEMBL434063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW1929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147063", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147063, "molecule_chembl_id": "CHEMBL4303623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.23", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZLN-024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(OCCSc2ncccn2)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151469", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151469, "molecule_chembl_id": "CHEMBL1708510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.44", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-2745687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151568", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-754807", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151568, "molecule_chembl_id": "CHEMBL575448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.51", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-754807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151569", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151569, "molecule_chembl_id": "CHEMBL447448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.91", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119847"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Br)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956379", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956379, "molecule_chembl_id": "CHEMBL277805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NKL 22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154531", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154531, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bepridil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.07", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154532", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154532, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150232", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150232, "molecule_chembl_id": "CHEMBL20943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.39", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "vesamicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1CCCCC1N1CCC(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150632", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150632, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INAMRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146943", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMIPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146943, "molecule_chembl_id": "CHEMBL4112930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.32", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pamiparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c43", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960373", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARFILZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960373, "molecule_chembl_id": "CHEMBL451887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "719.92", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Carfilzomib (PR-171)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956634", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956634, "molecule_chembl_id": "CHEMBL1829305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "635.94", "alogp": "6.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961410", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961410, "molecule_chembl_id": "CHEMBL4303586", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PDE10-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.957", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C)n2nc([C@@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154481", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154481, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine (Fanchinine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154482", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THALICARPINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154482, "molecule_chembl_id": "CHEMBL507100", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "696.84", "alogp": "7.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thaliblastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149981", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149981, "molecule_chembl_id": "CHEMBL1421016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.46", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-152804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146950", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146950, "molecule_chembl_id": "CHEMBL1471674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151536", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLLEUCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151536, "molecule_chembl_id": "CHEMBL1875805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IB-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(CC(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149067", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMOTRIZINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149067, "molecule_chembl_id": "CHEMBL2104956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.83", "alogp": "9.48", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "BEMOTRIZINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149293", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRILANESTRANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149293, "molecule_chembl_id": "CHEMBL3581693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "6.82", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Brilanestrant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961447", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961447, "molecule_chembl_id": "CHEMBL98869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.84", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UAMC-00039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956537", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETRIXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956537, "molecule_chembl_id": "CHEMBL512351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.91", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETRIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150141", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150141, "molecule_chembl_id": "CHEMBL4303567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@@H](C)CC[C@@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956545", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956545, "molecule_chembl_id": "CHEMBL2037200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX-6258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148966", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-755507", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148966, "molecule_chembl_id": "CHEMBL12998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.74", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-755507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960433", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIAZEPAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960433, "molecule_chembl_id": "CHEMBL12", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.75", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154633", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154633, "molecule_chembl_id": "CHEMBL1403575", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMR000040087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151654", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151654, "molecule_chembl_id": "CHEMBL1161894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.38", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D609"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(S)OC1CC2CC1C1CCCC21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152008", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152008, "molecule_chembl_id": "CHEMBL51", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961404", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOCORTOLONE PIVALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961404, "molecule_chembl_id": "CHEMBL1200975", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clocortolone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.515", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150354", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBETAXOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150354, "molecule_chembl_id": "CHEMBL1201274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.43", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levobetaxolol hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150348", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150348, "molecule_chembl_id": "CHEMBL105462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "873.03", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "U-75799E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959761", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOLE-3-CARBINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959761, "molecule_chembl_id": "CHEMBL155625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Indole-3-carbinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964440", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964440, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964443", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964443, "molecule_chembl_id": "CHEMBL472940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IPA-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956632", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956632, "molecule_chembl_id": "CHEMBL4553089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.28", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-CPT8m"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151697", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADP-597", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151697, "molecule_chembl_id": "CHEMBL1951032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.56", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APD597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147994", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147994, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-487-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955500", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCORTISONE BUTYRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955500, "molecule_chembl_id": "CHEMBL1683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.56", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydrocortisone 17-butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154206", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.80", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154206, "molecule_chembl_id": "CHEMBL4539742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARN-3236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15790.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149704", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTROMBOPAG OLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149704, "molecule_chembl_id": "CHEMBL3989691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.64", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eltrombopag olamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150326", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150326, "molecule_chembl_id": "CHEMBL4303474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.80", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CEPHALOSPORIN C Zn"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C2C(=O)O[Zn]OC(=O)C(N)CCCC(=O)N[C@@H]3C(=O)N2C3SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150205", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150205, "molecule_chembl_id": "CHEMBL2333945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.90", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146696", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146696, "molecule_chembl_id": "CHEMBL1650469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.12", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Fluoro-DL-glutamic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C[C@@H](F)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956614", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956614, "molecule_chembl_id": "CHEMBL284954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 297006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961401", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIDRONATE DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961401, "molecule_chembl_id": "CHEMBL1201042", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.99", "alogp": "-0.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETIDRONATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153582", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLENEIODONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153582, "molecule_chembl_id": "CHEMBL365739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHENYLENEIODONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)[I+]c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148498", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148498, "molecule_chembl_id": "CHEMBL1876219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.29", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC2559 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cncc(/C=C/CCNC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147682", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147682, "molecule_chembl_id": "CHEMBL268490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-alpha-Methylhistamine-dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147684", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENPROBAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147684, "molecule_chembl_id": "CHEMBL1079576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenprobamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152936", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152936, "molecule_chembl_id": "CHEMBL460491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.67", "alogp": "5.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IT1t"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN2C(CS/C(=N\\C3CCCCC3)NC3CCCCC3)=CSC2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145990", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145990, "molecule_chembl_id": "CHEMBL61593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146924", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISMUTH SUBSALICYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146924, "molecule_chembl_id": "CHEMBL1120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Bismuth Subsalicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146928", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146928, "molecule_chembl_id": "CHEMBL4303329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JSH-23"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NCCCc2ccccc2)c(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151154", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FABOMOTIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151154, "molecule_chembl_id": "CHEMBL3707307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fabomotizole (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151271", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151271, "molecule_chembl_id": "CHEMBL108425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.21", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146775", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORHEXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146775, "molecule_chembl_id": "CHEMBL1484251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.38", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORHEXIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151046", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151046, "molecule_chembl_id": "CHEMBL4303367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.36", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cibenzoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C2(c3ccccc3)CC2=C2NCCN2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151324", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151324, "molecule_chembl_id": "CHEMBL4289017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.49", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-03814735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147671", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147671, "molecule_chembl_id": "CHEMBL1152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264635"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148516", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETAMINOPHEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148516, "molecule_chembl_id": "CHEMBL112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETAMINOPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150334", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLE-3-CARBINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150334, "molecule_chembl_id": "CHEMBL155625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Indole-3-carbinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150343", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSI-027", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150343, "molecule_chembl_id": "CHEMBL3120215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.45", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OSI-027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149809", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTAPENEM SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149809, "molecule_chembl_id": "CHEMBL1232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.51", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ertapenem sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148518", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW842166X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148518, "molecule_chembl_id": "CHEMBL225411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.26", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW-842166X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149502", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149502, "molecule_chembl_id": "CHEMBL4574469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148207", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148207, "molecule_chembl_id": "CHEMBL4303414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.16", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mercaptosuccinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154024", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154024, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PELITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963898", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMERAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963898, "molecule_chembl_id": "CHEMBL438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.31", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963794", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MESULERGINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963794, "molecule_chembl_id": "CHEMBL2303628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.96", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mesulergine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959298", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959298, "molecule_chembl_id": "CHEMBL3039124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "LANATOSIDE C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957254", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VX-702", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957254, "molecule_chembl_id": "CHEMBL1090090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957575", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957575, "molecule_chembl_id": "CHEMBL7064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrazolanthrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2n[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961859", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHSCOPOLAMINE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961859, "molecule_chembl_id": "CHEMBL1354199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.30", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHSCOPOLAMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957270", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BATIMASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957270, "molecule_chembl_id": "CHEMBL279786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.65", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BATIMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957275", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957275, "molecule_chembl_id": "CHEMBL21156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyridone 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961873", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALSALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961873, "molecule_chembl_id": "CHEMBL154111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALSALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1C(=O)O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957276", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALOSURAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957276, "molecule_chembl_id": "CHEMBL567303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.54", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PALOSURAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957277", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELAGLENASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957277, "molecule_chembl_id": "CHEMBL3639788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "571.59", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CB-839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957278", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESATORVID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957278, "molecule_chembl_id": "CHEMBL225157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.82", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TAK-242 S enantiomer"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961877", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYTOCHLOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961877, "molecule_chembl_id": "CHEMBL4297275", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.67", "alogp": "-0.88", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "5-chloro-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.585", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963909", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INGENOL MEBUTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963909, "molecule_chembl_id": "CHEMBL1863513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ingenol Mebutate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963213", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2'-B-METHYL-GUANOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963213, "molecule_chembl_id": "CHEMBL418899", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-c-methylguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962926", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROBUCOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962926, "molecule_chembl_id": "CHEMBL608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.86", "alogp": "9.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PROBUCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958707", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958707, "molecule_chembl_id": "CHEMBL260117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1292.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Micafungin (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957830", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZILEUTON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957830, "molecule_chembl_id": "CHEMBL93", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zileuton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957840", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957840, "molecule_chembl_id": "CHEMBL4522726", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.91", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOBETASOL PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957631", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957631, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "RITONAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957507", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDROERGOTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957507, "molecule_chembl_id": "CHEMBL1732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "583.69", "alogp": "2.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "dihydroergotamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957633", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957633, "molecule_chembl_id": "CHEMBL521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(R)-Ibuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962410", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "alpha-CYANO-4-HYDROXYCINNAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962410, "molecule_chembl_id": "CHEMBL76602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962348", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELINOGREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962348, "molecule_chembl_id": "CHEMBL2103828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "523.96", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "elinogrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959401", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHOLINE ALFOSCERATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959401, "molecule_chembl_id": "CHEMBL1567463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.22", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "sn-Glycero-3-phosphocholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962064", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINDAMYCIN PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962064, "molecule_chembl_id": "CHEMBL3184512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.97", "alogp": "0.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clindamycin phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8985", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962423", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962423, "molecule_chembl_id": "CHEMBL4303226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.48", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-10216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc(-c2coc3cc(OCc4cccc(C(=O)O)c4)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957540", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957540, "molecule_chembl_id": "CHEMBL270948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.48", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP 376395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957545", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957545, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2603618"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963767", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963767, "molecule_chembl_id": "CHEMBL4293433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.68", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-Ras(G12C) inhibitor 12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959166", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXYVERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959166, "molecule_chembl_id": "CHEMBL1256940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.10", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(\u00b1)-Methoxyverapamil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963773", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963773, "molecule_chembl_id": "CHEMBL2048484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.52", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963775", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBOPLATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963775, "molecule_chembl_id": "CHEMBL1351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "carboplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963777", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETILEVODOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963777, "molecule_chembl_id": "CHEMBL1823681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "etilevodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959580", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-ISRADIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959580, "molecule_chembl_id": "CHEMBL399539", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isradipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.516", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961955", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961955, "molecule_chembl_id": "CHEMBL1441661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.47", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UCL-2077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957357", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957357, "molecule_chembl_id": "CHEMBL4303527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[S+]([O-])c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959134", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959134, "molecule_chembl_id": "CHEMBL1453457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salsolinol-1-carboxylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.663", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)O)NCCc2cc(O)c(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964373", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964373, "molecule_chembl_id": "CHEMBL4303361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.26", "alogp": "3.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NT157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964206", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.70", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964206, "molecule_chembl_id": "CHEMBL1886408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.30", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Felbinac ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "200.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959342", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959342, "molecule_chembl_id": "CHEMBL3039328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "583.60", "alogp": "-7.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DIHYDROSTREPTOMYCIN SESQUISULFATE [5mM/10% aq DMSO]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.597", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C(OC2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)OC(C)[C@]2(O)CO)OC(CO)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959155", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOMOPROLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959155, "molecule_chembl_id": "CHEMBL2106030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moprolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC[C@@H](O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959393", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICARTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959393, "molecule_chembl_id": "CHEMBL100424", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.38", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "picartamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=C(\\S)C1(c2ccccn2)CCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIFENPIRAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963999, "molecule_chembl_id": "CHEMBL1489662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "difenpiramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964077", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DINITROCHLOROBENZENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964077, "molecule_chembl_id": "CHEMBL292687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.55", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "2;4-dinitrochlorobenzene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959319", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959319, "molecule_chembl_id": "CHEMBL348639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylpiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(c2ccccc2)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957595", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957595, "molecule_chembl_id": "CHEMBL3414622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962352", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VOGLIBOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962352, "molecule_chembl_id": "CHEMBL476960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "-4.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "voglibose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959331", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959331, "molecule_chembl_id": "CHEMBL1200384", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.60", "alogp": "3.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BETAMETHASONE 17;21-DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARUSENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957669, "molecule_chembl_id": "CHEMBL23261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DARUSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958678", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLECAINIDE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958678, "molecule_chembl_id": "CHEMBL1200822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.40", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flecainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958593", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958593, "molecule_chembl_id": "CHEMBL2362008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.74", "alogp": "-0.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "(D-Ala2;N-Me-Phe4; methionin (O)-ol5)-enkephalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC[S+](C)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CONIVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957765, "molecule_chembl_id": "CHEMBL1755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.59", "alogp": "6.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CONIVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962368", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962368, "molecule_chembl_id": "CHEMBL457665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "-1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Sulfo-L-cysteine-sodium-salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.347", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSS(=O)(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957688", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957688, "molecule_chembl_id": "CHEMBL4532742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.62", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "VANOXERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146358", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILUZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146358, "molecule_chembl_id": "CHEMBL744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.20", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RILUZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(OC(F)(F)F)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153823", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153823, "molecule_chembl_id": "CHEMBL3672295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OTS514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961402", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961402, "molecule_chembl_id": "CHEMBL188166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.39", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-732;138"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148458", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETAPAMULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148458, "molecule_chembl_id": "CHEMBL1658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.78", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Retapamulin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153373", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRONARIDINE TETRAPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153373, "molecule_chembl_id": "CHEMBL2095224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "910.04", "alogp": "6.09", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "PYRONARIDINE TETRAPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153718", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153718, "molecule_chembl_id": "CHEMBL3688339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.43", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTSSP167 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153614", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153614, "molecule_chembl_id": "CHEMBL1371200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANRENOIC_acid; POTASSIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153837", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153837, "molecule_chembl_id": "CHEMBL97771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Src kinase inhibitor I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154443", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154443, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151953", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151953, "molecule_chembl_id": "CHEMBL204240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.73", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imepitoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(N2CCOCC2)CN1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153259", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153259, "molecule_chembl_id": "CHEMBL296480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "670.86", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Saquinavir Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149583", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAMINOOCTANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149583, "molecule_chembl_id": "CHEMBL29392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.26", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Octamethylenediamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151579", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEDATOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151579, "molecule_chembl_id": "CHEMBL592445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.74", "alogp": "3.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GEDATOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149151", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILDAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149151, "molecule_chembl_id": "CHEMBL142703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vildagliptin (LAF-237)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154583", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154583, "molecule_chembl_id": "CHEMBL481512", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "408.63", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MCOPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.51", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148236", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORFENSON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148236, "molecule_chembl_id": "CHEMBL499017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.17", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorfenson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153365", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153365, "molecule_chembl_id": "CHEMBL2385591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-212854"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153817", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153817, "molecule_chembl_id": "CHEMBL3951811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.13", "alogp": "3.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-37440"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955736", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOXIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955736, "molecule_chembl_id": "CHEMBL571209", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-Methyl-D-tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960225", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960225, "molecule_chembl_id": "CHEMBL261237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.35", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEK1-2-inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960080", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMETHASONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960080, "molecule_chembl_id": "CHEMBL1201392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flumethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961340", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-1070916", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961340, "molecule_chembl_id": "CHEMBL1090479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.64", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK1070916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-45.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960228", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960228, "molecule_chembl_id": "CHEMBL2103875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "615.40", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Trametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960920", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960920, "molecule_chembl_id": "CHEMBL2023158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-1892802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956290", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956290, "molecule_chembl_id": "CHEMBL3963965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.63", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-CBP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960092", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEMCITABINE ELAIDATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960092, "molecule_chembl_id": "CHEMBL3039516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.65", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Gemcitabine (elaidate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956299", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956299, "molecule_chembl_id": "CHEMBL366254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 150606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(S)=C/c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960072", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960072, "molecule_chembl_id": "CHEMBL485012", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indole-3-pyrubate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Cc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961294", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961294, "molecule_chembl_id": "CHEMBL4303491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.87", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJ-172550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961301", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961301, "molecule_chembl_id": "CHEMBL492574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.58", "alogp": "-6.95", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "APRAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955839", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TG100-115", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955839, "molecule_chembl_id": "CHEMBL230011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.35", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TG-100115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960616", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960616, "molecule_chembl_id": "CHEMBL1448010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.83", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEFEXAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960618", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960618, "molecule_chembl_id": "CHEMBL294649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.38", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-56812"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955845", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW501516", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955845, "molecule_chembl_id": "CHEMBL38943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.51", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GW 501516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956396", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956396, "molecule_chembl_id": "CHEMBL601757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.19", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Methyltoxoflavin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956398", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956398, "molecule_chembl_id": "CHEMBL4169247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.18", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2098"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956401", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEBUCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956401, "molecule_chembl_id": "CHEMBL487186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.82", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEBUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956492", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALIDIXIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956492, "molecule_chembl_id": "CHEMBL5", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalidixic_acid sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961270", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961270, "molecule_chembl_id": "CHEMBL2316582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GZD824 Dimesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]ncc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956494", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZATEBRADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956494, "molecule_chembl_id": "CHEMBL69679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.58", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zatebradine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956202", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK3207", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956202, "molecule_chembl_id": "CHEMBL1910936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.60", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-3207"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955737", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955737, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gestodene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960839", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960839, "molecule_chembl_id": "CHEMBL215919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.52", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DRF053-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.533", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960851", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960851, "molecule_chembl_id": "CHEMBL4303183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "josamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960867", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAGNOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960867, "molecule_chembl_id": "CHEMBL180920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Magnolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.691", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961055", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961055, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961521", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961521, "molecule_chembl_id": "CHEMBL1314130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.58", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DHBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960116", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960116, "molecule_chembl_id": "CHEMBL562308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.57", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ-10606120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCNCCO)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956253", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956253, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RILPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956254", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956254, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMPRENAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146188", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146188, "molecule_chembl_id": "CHEMBL4169247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.18", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2098"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147031", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMORFAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147031, "molecule_chembl_id": "CHEMBL2103954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emorfazone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c(N2CCOCC2)cnn(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151437", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETULINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151437, "molecule_chembl_id": "CHEMBL269277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Betulinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146479", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOYL PEROXIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146479, "molecule_chembl_id": "CHEMBL1200370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzoyl peroxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146966", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146966, "molecule_chembl_id": "CHEMBL287833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.27", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "co-102862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151653", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICIFADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151653, "molecule_chembl_id": "CHEMBL544862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.72", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bicifadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C23CNCC2C3)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151767", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151767, "molecule_chembl_id": "CHEMBL1200469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146376", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146376, "molecule_chembl_id": "CHEMBL407009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "745.43", "alogp": "-2.57", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADPH (tetracyclohexanamine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959220", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHSUXIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959220, "molecule_chembl_id": "CHEMBL697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHSUXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150378", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150378, "molecule_chembl_id": "CHEMBL4303279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.08", "alogp": "6.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1-R"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THONZONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960287, "molecule_chembl_id": "CHEMBL1200883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.72", "alogp": "8.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "thonzonium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960645", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960645, "molecule_chembl_id": "CHEMBL2107779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "744.91", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "semapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/NC(=N)N)cc(/C(C)=N/NC(=N)N)c2)cc(/C(C)=N/NC(=N)N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960606", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROXIDOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960606, "molecule_chembl_id": "CHEMBL2103827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.19", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Droxidopa (L-DOPS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955830", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NELARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955830, "molecule_chembl_id": "CHEMBL1201112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nelarabine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955520", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RITANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955520, "molecule_chembl_id": "CHEMBL267777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.58", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Ritanserin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955872", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955872, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fudosteine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENIPIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960999, "molecule_chembl_id": "CHEMBL459016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genipin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956228", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956228, "molecule_chembl_id": "CHEMBL56542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 528"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956000", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956000, "molecule_chembl_id": "CHEMBL4303405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N?\u00ce-Diacetyl-L-cystine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960380", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960380, "molecule_chembl_id": "CHEMBL149394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fmoc-l-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955607", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955607, "molecule_chembl_id": "CHEMBL4570132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Drotaverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2/NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960382", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960382, "molecule_chembl_id": "CHEMBL4303392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "140.14", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "C-751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960747", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960747, "molecule_chembl_id": "CHEMBL4303679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.59", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-1100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960209", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPECTINOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960209, "molecule_chembl_id": "CHEMBL3989571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.35", "alogp": "-2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPECTINOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl.O.O.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955758", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLINOSITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955758, "molecule_chembl_id": "CHEMBL493737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.18", "alogp": "-3.18", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "D-(+)-Pinitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956112", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NETAZEPIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956112, "molecule_chembl_id": "CHEMBL324547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.59", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Netazepide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956099", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SINEFUNGIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956099, "molecule_chembl_id": "CHEMBL1214186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.39", "alogp": "-2.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sinefungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956187", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956187, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956123", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LBQ-657", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956123, "molecule_chembl_id": "CHEMBL417007", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.44", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sacubitrilat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960898", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUGGULSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960898, "molecule_chembl_id": "CHEMBL410683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956124", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956124, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960899", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEGOBUVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960899, "molecule_chembl_id": "CHEMBL1957287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tegobuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.017", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956166", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956166, "molecule_chembl_id": "CHEMBL4077071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.50", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FN-1501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960980", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECARBINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960980, "molecule_chembl_id": "CHEMBL1881106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mecarbinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(C)n(C)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960913", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA-CARYOPHYLLENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960913, "molecule_chembl_id": "CHEMBL445740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "g-caryophyllene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC/C=C(\\C)CC[C@@H]2[C@@H]1CC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956209", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABX-1431", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956209, "molecule_chembl_id": "CHEMBL3945728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.40", "alogp": "5.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ABX-1431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960916", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960916, "molecule_chembl_id": "CHEMBL1476646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.52", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-63802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\\C#N)c2nc3ccccc3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960950", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFETAMET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960950, "molecule_chembl_id": "CHEMBL2103764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cefetamet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.755", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956531", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956531, "molecule_chembl_id": "CHEMBL3609407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.37", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK805"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961557", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961557, "molecule_chembl_id": "CHEMBL4303445", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.39", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-27141491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1ccc(F)c(F)c1)n1c(C(=O)OC)c(-c2ccno2)[nH]c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956574", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIVEBRESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956574, "molecule_chembl_id": "CHEMBL3987016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.47", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "mivebresib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957948", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957948, "molecule_chembl_id": "CHEMBL2172225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.34", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-603131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAROTRECTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957553, "molecule_chembl_id": "CHEMBL3889654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "larotrectinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962152", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLTERODINE TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962152, "molecule_chembl_id": "CHEMBL1722209", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolterodine tartrate (Detrol LA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957563", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957563, "molecule_chembl_id": "CHEMBL4460898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIA 10-2474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957566", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARIPRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957566, "molecule_chembl_id": "CHEMBL2028019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cariprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959189", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959189, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETOMIDATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.814", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962172", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARETHOXYCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962172, "molecule_chembl_id": "CHEMBL1603742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(diethylamino)ethyl 4-ethoxybenzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06345", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957578", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957578, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957579", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAVARIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957579, "molecule_chembl_id": "CHEMBL216981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Navarixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961865", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961865, "molecule_chembl_id": "CHEMBL279731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.16", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS 19755"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957271", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAPRENEPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957271, "molecule_chembl_id": "CHEMBL2107783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAPRENEPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959744", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959744, "molecule_chembl_id": "CHEMBL7064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrazolanthrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2n[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963440", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963440, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REPAGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963109", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ULIPRISTAL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963109, "molecule_chembl_id": "CHEMBL260538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ulipristal acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963182", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIAMCINOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963182, "molecule_chembl_id": "CHEMBL1451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.44", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIAMCINOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964105", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SURITOZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964105, "molecule_chembl_id": "CHEMBL278764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "suritozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2cccc(F)c2)n(C)c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957937", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957937, "molecule_chembl_id": "CHEMBL4541449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.19", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound (+)17a [PMID: 20363624]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1c2c(-c3nnn[nH]3)n[nH]c2[C@@H]2C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959200", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEPHENESIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959200, "molecule_chembl_id": "CHEMBL229128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPHENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964213", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.82", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964213, "molecule_chembl_id": "CHEMBL1422849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.46", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959154", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VENLAFAXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959154, "molecule_chembl_id": "CHEMBL1201066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VENLAFAXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963762", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEANOLIC_ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963762, "molecule_chembl_id": "CHEMBL168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oleanolic_acid (Caryophyllin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959472", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959472, "molecule_chembl_id": "CHEMBL430112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.27", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGN-192403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C1C2CCC(C2)C1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959148", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLOFENSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959148, "molecule_chembl_id": "CHEMBL287257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.24", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diclofensine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958693", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958693, "molecule_chembl_id": "CHEMBL603764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADENOSINE 5-MONOPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959152", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REVAPRAZAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959152, "molecule_chembl_id": "CHEMBL1257753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.91", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Revaprazan Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959464", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959464, "molecule_chembl_id": "CHEMBL4303537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.36", "alogp": "-2.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Regadenoson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962858", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962858, "molecule_chembl_id": "CHEMBL4303214", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fruquintinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959495", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959495, "molecule_chembl_id": "CHEMBL4303715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.30", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPSI-1306-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1CC(c2ccc(F)cc2F)=NO1)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958334", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAZMEGREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958334, "molecule_chembl_id": "CHEMBL283656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAZMEGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154224", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.10", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154224, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7900.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149089", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRANAFTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149089, "molecule_chembl_id": "CHEMBL1591365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.44", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Liranaftate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153596", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153596, "molecule_chembl_id": "CHEMBL356066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LAQ824 (Dacinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2811376", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150061, "molecule_chembl_id": "CHEMBL2333941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2811376"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149475", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCHOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149475, "molecule_chembl_id": "CHEMBL667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.21", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCHOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956757", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956757, "molecule_chembl_id": "CHEMBL4303491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.87", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SJ 172550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154048", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154048, "molecule_chembl_id": "CHEMBL1398474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.89", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "10-DEBC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154052", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIVIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154052, "molecule_chembl_id": "CHEMBL307697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sivifene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIPERIDEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148765, "molecule_chembl_id": "CHEMBL1101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BIPERIDEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961800", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANISINDIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961800, "molecule_chembl_id": "CHEMBL712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANISINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.717", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2C(=O)c3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961805", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961805, "molecule_chembl_id": "CHEMBL306380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957207", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957207, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYRAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957214", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957214, "molecule_chembl_id": "CHEMBL3609327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.11", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961813", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961813, "molecule_chembl_id": "CHEMBL3906778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WDR5-0103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957219", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957219, "molecule_chembl_id": "CHEMBL3186774", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957228", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BITOPERTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957228, "molecule_chembl_id": "CHEMBL1171829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.46", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "bitopertin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957124", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANABASINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957124, "molecule_chembl_id": "CHEMBL1526229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-ANABASINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc([C@@H]2CCCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957128", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957128, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETOMIDATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAVADOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961733, "molecule_chembl_id": "CHEMBL13178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.47", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pravadoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957133", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW9508", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957133, "molecule_chembl_id": "CHEMBL207881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW9508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957134", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957134, "molecule_chembl_id": "CHEMBL3672841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "605.82", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ011989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955742", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EUGENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955742, "molecule_chembl_id": "CHEMBL42710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Allylguaiacol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956495", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LCL-161", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956495, "molecule_chembl_id": "CHEMBL2431768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LCL161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956426", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAMIPEXOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956426, "molecule_chembl_id": "CHEMBL301265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pramipexole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961210", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961210, "molecule_chembl_id": "CHEMBL1570196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-94253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956435", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLOFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956435, "molecule_chembl_id": "CHEMBL139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.15", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961303", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961303, "molecule_chembl_id": "CHEMBL4303593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.73", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVE 0991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(OC)c2C=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960615", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960615, "molecule_chembl_id": "CHEMBL1698008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.26", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC697923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961553, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956206", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LXS-196", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956206, "molecule_chembl_id": "CHEMBL3982723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.48", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LXS196"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961562", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOXAL ISONICOTINOYL HYDRAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961562, "molecule_chembl_id": "CHEMBL103111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "G977X9RTC5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(/C=N/NC(=O)c2ccncc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151624", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151624, "molecule_chembl_id": "CHEMBL460472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "4.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMG458"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146736", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-694247", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146736, "molecule_chembl_id": "CHEMBL39317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.49", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-694247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150883", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150883, "molecule_chembl_id": "CHEMBL1200941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.28", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146750", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTAROLIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146750, "molecule_chembl_id": "CHEMBL219410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "966.23", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "zotarolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146591", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146591, "molecule_chembl_id": "CHEMBL863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.16", "alogp": "-0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150961", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150961, "molecule_chembl_id": "CHEMBL3414574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EI1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)n1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151099", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW786460X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151099, "molecule_chembl_id": "CHEMBL185238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.33", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RepSox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151293", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151293, "molecule_chembl_id": "CHEMBL4303294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethimizol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc(C(=O)NC)c1C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146790", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146790, "molecule_chembl_id": "CHEMBL1566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ACARBOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146626", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146626, "molecule_chembl_id": "CHEMBL1455497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "134.09", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "malic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150089", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMENHYDRINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150089, "molecule_chembl_id": "CHEMBL1200406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.97", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DIMENHYDRINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960820", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MSX-122", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960820, "molecule_chembl_id": "CHEMBL3545330", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.35", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MSX-122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961518", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961518, "molecule_chembl_id": "CHEMBL1256663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY310762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152223", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILANTEROL TRIFENATATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152223, "molecule_chembl_id": "CHEMBL1084172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "774.78", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vilanterol (trifenatate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147070", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147070, "molecule_chembl_id": "CHEMBL1088752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LOSMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151595", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASIMELTEON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151595, "molecule_chembl_id": "CHEMBL2103822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TASIMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152086", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152086, "molecule_chembl_id": "CHEMBL504548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.77", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "asenapine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151951", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151951, "molecule_chembl_id": "CHEMBL1763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.30", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROFLUMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147518", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147518, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "exifone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955903", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEBRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955903, "molecule_chembl_id": "CHEMBL2104682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.27", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nebracetam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CC(=O)N(Cc2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955837", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOLEDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955837, "molecule_chembl_id": "CHEMBL924", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.09", "alogp": "-1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zoledronate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960619", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEP-32496", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960619, "molecule_chembl_id": "CHEMBL2029988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.46", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "CEP-32496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.768", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956144", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956144, "molecule_chembl_id": "CHEMBL101168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "134.14", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Aminobenzotriazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nn1nnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960058", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960058, "molecule_chembl_id": "CHEMBL265628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.42", "alogp": "-4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Arg-Gly-Asp-Ser"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956098", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINDESINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956098, "molecule_chembl_id": "CHEMBL219146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "753.94", "alogp": "2.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vindesine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956100", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956100, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clomifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956148", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956148, "molecule_chembl_id": "CHEMBL3393333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.50", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-3511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146262", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOXTALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146262, "molecule_chembl_id": "CHEMBL3545366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.30", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Voxtalisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145781", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTIAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145781, "molecule_chembl_id": "CHEMBL1200589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.10", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefotiam Hexetil Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145782", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145782, "molecule_chembl_id": "CHEMBL3272561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1167.34", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Alarelin (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152545", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152545, "molecule_chembl_id": "CHEMBL191958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.43", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genz-644282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145788", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145788, "molecule_chembl_id": "CHEMBL4065323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "634.74", "alogp": "5.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FIIN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc(CN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149760", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149760, "molecule_chembl_id": "CHEMBL222280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.10", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-BrdU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147014", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147014, "molecule_chembl_id": "CHEMBL3233606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.17", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-19504"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(Cc2ccc(Br)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152025", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECHLORETHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152025, "molecule_chembl_id": "CHEMBL427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.06", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECHLORETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCl)CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149857", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149857, "molecule_chembl_id": "CHEMBL1256141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-7142"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153891", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPACHONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153891, "molecule_chembl_id": "CHEMBL15192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BETA-LAPACHONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153893", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFIMOXIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153893, "molecule_chembl_id": "CHEMBL489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "afimoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149391", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAZOSIN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149391, "molecule_chembl_id": "CHEMBL1200561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.59", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXAZOSIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153896", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153896, "molecule_chembl_id": "CHEMBL1096283", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Walrycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149394", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCABASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149394, "molecule_chembl_id": "CHEMBL1237102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.99", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levocabastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149396", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYFENOZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149396, "molecule_chembl_id": "CHEMBL55772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHOXYFENOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149399", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHLOROACETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149399, "molecule_chembl_id": "CHEMBL14053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.39", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLOROACETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153910", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153910, "molecule_chembl_id": "CHEMBL405759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TWS119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153914", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153914, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sertindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149412", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLERIXAFOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149412, "molecule_chembl_id": "CHEMBL18442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.80", "alogp": "0.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MMV1580502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148388", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148388, "molecule_chembl_id": "CHEMBL4303509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.25", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "org-9768"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CN)Cc2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151684", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANABENZ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151684, "molecule_chembl_id": "CHEMBL420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.09", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanabenz acetate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148139", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148139, "molecule_chembl_id": "CHEMBL54440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145716", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW305074X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145716, "molecule_chembl_id": "CHEMBL1880739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.95", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-5074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150843", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAXOPRODIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150843, "molecule_chembl_id": "CHEMBL17350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TRAXOPRODIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146345", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146345, "molecule_chembl_id": "CHEMBL155333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.05", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KN-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150847", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150847, "molecule_chembl_id": "CHEMBL1444844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.56", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEBEVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145944", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145944, "molecule_chembl_id": "CHEMBL405346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.40", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MT-DADMe-ImmA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145945", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145945, "molecule_chembl_id": "CHEMBL366254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 150606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(S)=C/c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150448", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3,5-DIIODOTHYROPROPIONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150448, "molecule_chembl_id": "CHEMBL2348292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.07", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "diiodothyropropionic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145949", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RADEZOLID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145949, "molecule_chembl_id": "CHEMBL455461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.46", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Radezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145954", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINYLCHOLINE CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145954, "molecule_chembl_id": "CHEMBL983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.31", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "succinylcholine-chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150864", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOXAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150864, "molecule_chembl_id": "CHEMBL453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150471", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150471, "molecule_chembl_id": "CHEMBL544428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIANSERIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145975", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145975, "molecule_chembl_id": "CHEMBL1728279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VINCAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153497", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANOBINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153497, "molecule_chembl_id": "CHEMBL483254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Panobinostat lactate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149931", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149931, "molecule_chembl_id": "CHEMBL458603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.75", "alogp": "6.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CITCO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146971", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLPYRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146971, "molecule_chembl_id": "CHEMBL1564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.86", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENYLPYRALINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145709", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145709, "molecule_chembl_id": "CHEMBL4303492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1486.09", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Bacitracin (Zinc)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956691", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVANS BLUE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956691, "molecule_chembl_id": "CHEMBL1015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "872.89", "alogp": "6.67", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "EVANS BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956982", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956982, "molecule_chembl_id": "CHEMBL3094388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.41", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956861", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956861, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956843", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956843, "molecule_chembl_id": "CHEMBL3823478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-7273"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955680", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+)-TAXIFOLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955680, "molecule_chembl_id": "CHEMBL66", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.25", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Taxifolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960245", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960245, "molecule_chembl_id": "CHEMBL1938952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.37", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S1P1 Agonist III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960249", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KAEMPFEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960249, "molecule_chembl_id": "CHEMBL150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kaempferol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYCLONINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148852, "molecule_chembl_id": "CHEMBL1200478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dyclonine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960457", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960457, "molecule_chembl_id": "CHEMBL1213420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "droxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154638", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SUCCINOBUCOL", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154638, "molecule_chembl_id": "CHEMBL83626", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "616.93", "alogp": "9.97", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Succinobucol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146551", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INOSITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146551, "molecule_chembl_id": "CHEMBL1222251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.83", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Inositol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151061", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151061, "molecule_chembl_id": "CHEMBL4455382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.43", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-1347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Cn1cc(-c2ccc(-c3cncc4ccccc34)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153288", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153288, "molecule_chembl_id": "CHEMBL985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "60.06", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "UREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153583", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153583, "molecule_chembl_id": "CHEMBL264406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.40", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Naphthyl PP1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956664", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956664, "molecule_chembl_id": "CHEMBL3589039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.60", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ020411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956904", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956904, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BREFELDIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957015", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMANTADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957015, "molecule_chembl_id": "CHEMBL959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.31", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIMANTADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956970", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOXITIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956970, "molecule_chembl_id": "CHEMBL996", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.46", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFOXITIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956840", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956840, "molecule_chembl_id": "CHEMBL4539258", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DADLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148771", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148771, "molecule_chembl_id": "CHEMBL454950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956907", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KAEMPFEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956907, "molecule_chembl_id": "CHEMBL150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KAEMPFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956696", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMAGEDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956696, "molecule_chembl_id": "CHEMBL225304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "74.09", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Pimagedine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956961", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHS-828", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956961, "molecule_chembl_id": "CHEMBL17289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CHS-828"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN/C(=N\\CCCCCCOc1ccc(Cl)cc1)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956817", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERATRODAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956817, "molecule_chembl_id": "CHEMBL70972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SERATRODAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148739", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148739, "molecule_chembl_id": "CHEMBL507305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.15", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ansamitocin P-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\\C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152754", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152754, "molecule_chembl_id": "CHEMBL4587981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS6180"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CSc2ccccc2N1Cc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148085", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148085, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUMAZENIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148263", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMONONETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148263, "molecule_chembl_id": "CHEMBL242341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FORMONONETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148265", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPINIROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148265, "molecule_chembl_id": "CHEMBL589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROPINIROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957692", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINACALCET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957692, "molecule_chembl_id": "CHEMBL1201284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.42", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CINACALCET HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963293", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963293, "molecule_chembl_id": "CHEMBL4303658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.33", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TA-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962376", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962376, "molecule_chembl_id": "CHEMBL595583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.62", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHT-427"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147835", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147835, "molecule_chembl_id": "CHEMBL1332518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMNB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=O)c([N+](=O)[O-])cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152312", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152312, "molecule_chembl_id": "CHEMBL488910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.58", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ko 143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963940", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963940, "molecule_chembl_id": "CHEMBL4303620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.55", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrintegrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCC1CC1)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958339", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958339, "molecule_chembl_id": "CHEMBL433282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.21", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD081125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964100", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALIRASIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964100, "molecule_chembl_id": "CHEMBL23293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.55", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Salirasib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154489", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154489, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLUOPERAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958464", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958464, "molecule_chembl_id": "CHEMBL1241857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.37", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-90"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957481", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOKETOCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957481, "molecule_chembl_id": "CHEMBL295698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ketoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962734", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962734, "molecule_chembl_id": "CHEMBL3360305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-HSP990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957423", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELEXIPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957423, "molecule_chembl_id": "CHEMBL238804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "496.63", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SELEXIPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963276", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963276, "molecule_chembl_id": "CHEMBL648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958673", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STRYCHNINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958673, "molecule_chembl_id": "CHEMBL2103753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STRYCHNINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957433", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957433, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOLUTEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962037", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEMORUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962037, "molecule_chembl_id": "CHEMBL1232279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "643.64", "alogp": "0.35", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "nemorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958881", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTOFILOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958881, "molecule_chembl_id": "CHEMBL157443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.40", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "butofilolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963485", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963485, "molecule_chembl_id": "CHEMBL1684242", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.33", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0360172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957443", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957443, "molecule_chembl_id": "CHEMBL1412853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958702", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARVEDILOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958702, "molecule_chembl_id": "CHEMBL723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARVEDILOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.881", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963435", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INOSITOL NIACINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963435, "molecule_chembl_id": "CHEMBL1094982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "810.73", "alogp": "3.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Inositol nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961891", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-2636771", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961891, "molecule_chembl_id": "CHEMBL3188551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.43", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2636771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959809", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959809, "molecule_chembl_id": "CHEMBL247471", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.95", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS 299897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.662", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1ccc(F)cc1CCCC(=O)O)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959514", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959514, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nisoldipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149539", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOPHOCARPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149539, "molecule_chembl_id": "CHEMBL377725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sophocarpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957143, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957144", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Y-27632", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957144, "molecule_chembl_id": "CHEMBL559147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.34", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961745", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYMECROMONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961745, "molecule_chembl_id": "CHEMBL12208", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.17", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "HYMECROMONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "106.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153884", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153884, "molecule_chembl_id": "CHEMBL3287036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.47", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K145 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC/C=C2\\SC(=O)N(CCN)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961765", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961765, "molecule_chembl_id": "CHEMBL1590266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.49", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-14506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.719", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961752", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENSERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961752, "molecule_chembl_id": "CHEMBL74926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenserine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.991", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153085", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRYPTOTANSHINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153085, "molecule_chembl_id": "CHEMBL187460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRYPTOTANSHINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153132", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153132, "molecule_chembl_id": "CHEMBL2152944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.43", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148628", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFLUMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148628, "molecule_chembl_id": "CHEMBL193240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.21", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Roflumilast (Daxas)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151357", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETANILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151357, "molecule_chembl_id": "CHEMBL269644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETANILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146854", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPHAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146854, "molecule_chembl_id": "CHEMBL104560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorpropham"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153137", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-3839", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153137, "molecule_chembl_id": "CHEMBL2177913", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.42", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD-3839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148637", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIGUSTRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148637, "molecule_chembl_id": "CHEMBL303697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chuanxiongzine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(C)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153264", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153264, "molecule_chembl_id": "CHEMBL223496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119701"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151335", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLOMETAZOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151335, "molecule_chembl_id": "CHEMBL312448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "XYLOMETAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153428", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOMOXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153428, "molecule_chembl_id": "CHEMBL641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "atomoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151530", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151530, "molecule_chembl_id": "CHEMBL4303580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "831.98", "alogp": "-1.84", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Eptifibatide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCCC1NC(=O)CCSSCC(C(N)=O)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146317", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146317, "molecule_chembl_id": "CHEMBL293375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.44", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESTROPIPATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-191095", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151553, "molecule_chembl_id": "CHEMBL11594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.89", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-191095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957350", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957350, "molecule_chembl_id": "CHEMBL125236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "andarine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150988", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITENPYRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150988, "molecule_chembl_id": "CHEMBL259728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.72", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitenpyram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153409", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREQUINAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153409, "molecule_chembl_id": "CHEMBL38434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.37", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BREQUINAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964017", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPERGUALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964017, "molecule_chembl_id": "CHEMBL1765508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "619.99", "alogp": "7.57", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "NKP608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153195", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153195, "molecule_chembl_id": "CHEMBL4210419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.48", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LB42708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149794", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149794, "molecule_chembl_id": "CHEMBL430717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rec-15/2615"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963336", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963336, "molecule_chembl_id": "CHEMBL3421968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153432", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153432, "molecule_chembl_id": "CHEMBL3991932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.64", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "pexmetinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962108", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUVOXAMINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962108, "molecule_chembl_id": "CHEMBL1409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUVOXAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.825", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962253", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962253, "molecule_chembl_id": "CHEMBL4303255", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pikamilone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCNC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962076", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962076, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor (VX-770)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8778", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958664", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958664, "molecule_chembl_id": "CHEMBL1434196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1550.19", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Iodixanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.343", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962020", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ILOMASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962020, "molecule_chembl_id": "CHEMBL19611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ilomastat (GM6001; Galardin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955602", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955602, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Rabusertib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964120", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEFURALINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964120, "molecule_chembl_id": "CHEMBL1076256", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.39", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "befuraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148244", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAVISANT DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148244, "molecule_chembl_id": "CHEMBL2105715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.38", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bavisant (dihydrochloride hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O.O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152748", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPTORELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152748, "molecule_chembl_id": "CHEMBL1201334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1311.47", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Triptorelin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956752", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956752, "molecule_chembl_id": "CHEMBL470334", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.41", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VER-155008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152741", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSIGLITAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152741, "molecule_chembl_id": "CHEMBL121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.44", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSIGLITAZONE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148770", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148770, "molecule_chembl_id": "CHEMBL83899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.96", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-67506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148775", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148775, "molecule_chembl_id": "CHEMBL4303403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lorediplon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C)c1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154441", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154441, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nelfinavir Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154374", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154374, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9940.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153392", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153392, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RALOXIFENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149351", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149351, "molecule_chembl_id": "CHEMBL32503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.32", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149088", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL BENZOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149088, "molecule_chembl_id": "CHEMBL282575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.50", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ESTRADIOL BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961742", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961742, "molecule_chembl_id": "CHEMBL2103842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.95", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Varlitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957181", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957181, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CANDESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957174", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957174, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EMPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961785", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961785, "molecule_chembl_id": "CHEMBL178455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.42", "alogp": "6.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI-8751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956258", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956258, "molecule_chembl_id": "CHEMBL4129809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR7334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959420", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POTASSIUM ANTIMONYL TARTRATE TRIHYDRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959420, "molecule_chembl_id": "CHEMBL1650312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "631.84", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Antimonyl (potassium tartrate trihydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147588", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147588, "molecule_chembl_id": "CHEMBL1677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TACRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961430", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROLZIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961430, "molecule_chembl_id": "CHEMBL51396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rolziracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.352", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC2CCC(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151960", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROTRECTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151960, "molecule_chembl_id": "CHEMBL3889654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "larotrectinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147530", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRITELIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147530, "molecule_chembl_id": "CHEMBL4069597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.50", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pritelivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955796", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955796, "molecule_chembl_id": "CHEMBL4580236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID54359408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC=C(NOCCN)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960793", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960793, "molecule_chembl_id": "CHEMBL4303464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.41", "alogp": "-0.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Phlorizin (Phloridzin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.685", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964241", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.13", "bao_label": "assay format", "molecule_pref_name": "RABEPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964241, "molecule_chembl_id": "CHEMBL1200930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rabeprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "740.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962248", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962248, "molecule_chembl_id": "CHEMBL1514634", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.57", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ambroxol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152995", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXANDROLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152995, "molecule_chembl_id": "CHEMBL1200436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxandrolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957982", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957982, "molecule_chembl_id": "CHEMBL1336959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.32", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PBIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc3ccccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962204", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962204, "molecule_chembl_id": "CHEMBL4303557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WEHI-345 analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.763", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccc3C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964359", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "4.57", "bao_label": "assay format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964359, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001247028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959524", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959524, "molecule_chembl_id": "CHEMBL4303193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-670596"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(Cn2c3c(c4cc(F)cc(F)c42)CCCC3CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964219", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.41", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964219, "molecule_chembl_id": "CHEMBL289356", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.30", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-17107"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "390.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nnc(Nc2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959541", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOPTERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959541, "molecule_chembl_id": "CHEMBL376180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.055", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959620", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959620, "molecule_chembl_id": "CHEMBL211769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146107", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFANITRAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146107, "molecule_chembl_id": "CHEMBL493636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFANITRAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146227", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146227, "molecule_chembl_id": "CHEMBL250428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.26", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150612", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150612, "molecule_chembl_id": "CHEMBL291536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-334867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146114", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146114, "molecule_chembl_id": "CHEMBL1201150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUMATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146117", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEKANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146117, "molecule_chembl_id": "CHEMBL1237048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.60", "alogp": "-7.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BEKANAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964426", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964426, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145683", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOPHENAZINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145683, "molecule_chembl_id": "CHEMBL2360079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "643.72", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOPHENAZINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145684", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABAMETAPIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145684, "molecule_chembl_id": "CHEMBL2205807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.24", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "abametapir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ccc(C)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961584", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961584, "molecule_chembl_id": "CHEMBL4303671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.38", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.862", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961602", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961602, "molecule_chembl_id": "CHEMBL204240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.73", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imepitoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(N2CCOCC2)CN1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961613", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961613, "molecule_chembl_id": "CHEMBL3823931", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atglistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955810", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEDIRANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955810, "molecule_chembl_id": "CHEMBL491473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Cediranib maleate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960588", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960588, "molecule_chembl_id": "CHEMBL4303235", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.25", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCMI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=CNc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959867", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959867, "molecule_chembl_id": "CHEMBL299749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "599.86", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-173212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961117", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FISETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961117, "molecule_chembl_id": "CHEMBL31574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fisetin (Fustel)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.013", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961352", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYBURIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961352, "molecule_chembl_id": "CHEMBL472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.01", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYBURIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956345", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956345, "molecule_chembl_id": "CHEMBL584991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.64", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO5L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956463", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956463, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dimercaptosuccinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959991", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959991, "molecule_chembl_id": "CHEMBL506999", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.67", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-12962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(N2CCNCC2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961280", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961280, "molecule_chembl_id": "CHEMBL453105", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.77", "alogp": "-0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danegaptide Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960333", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEISOINDIGO", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960333, "molecule_chembl_id": "CHEMBL607535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.30", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meisoindigo"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961413", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUMETANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961413, "molecule_chembl_id": "CHEMBL1072", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUMETANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961130", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MBX-2982", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961130, "molecule_chembl_id": "CHEMBL3260505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.56", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MBX-2982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959919", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOTAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959919, "molecule_chembl_id": "CHEMBL3039507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.95", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sotagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.112", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149581", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149581, "molecule_chembl_id": "CHEMBL3393127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.88", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EX229"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956519", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-05175157", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956519, "molecule_chembl_id": "CHEMBL3359265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-05175157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960648", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960648, "molecule_chembl_id": "CHEMBL1671898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.92", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CJ-033466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(CC(C)C)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955524", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955524, "molecule_chembl_id": "CHEMBL4522182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.13", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CID54189144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CONC(=Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955526", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955526, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefixime\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-61.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961098", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961098, "molecule_chembl_id": "CHEMBL270948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.48", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP-376395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955574", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUPATADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955574, "molecule_chembl_id": "CHEMBL91397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.97", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rupatadine fumarate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956323", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956323, "molecule_chembl_id": "CHEMBL105360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.36", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Demethoxycurcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959979", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959979, "molecule_chembl_id": "CHEMBL4303475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.43", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASP-2535"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960143, "molecule_chembl_id": "CHEMBL483091", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "118.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Isopropylisothiourea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)SC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959903", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WP 1066", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959903, "molecule_chembl_id": "CHEMBL1923234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "WP1066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960001", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960001, "molecule_chembl_id": "CHEMBL3187229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.60", "alogp": "6.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Norethisterone Enanthate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149143", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROADIFEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149143, "molecule_chembl_id": "CHEMBL347036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.97", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROADIFEN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959970", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFERIPRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959970, "molecule_chembl_id": "CHEMBL70927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEFERIPRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)ccn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955540", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955540, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Uridine triphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961221", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961221, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964487", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964487, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOFUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956342", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956342, "molecule_chembl_id": "CHEMBL226646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.82", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIRANAFTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961287, "molecule_chembl_id": "CHEMBL1591365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.44", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Liranaftate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960336", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOMETAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960336, "molecule_chembl_id": "CHEMBL174697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.75", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zometapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956511", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956511, "molecule_chembl_id": "CHEMBL2392553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "3.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ro3280"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961421", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961421, "molecule_chembl_id": "CHEMBL3577124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.52", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY3009120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.809", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961338", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SETIPTILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961338, "molecule_chembl_id": "CHEMBL2104895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Setiptiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC2=C(C1)c1ccccc1Cc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964473", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964473, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "hemin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962455", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962455, "molecule_chembl_id": "CHEMBL1231358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Blebbistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.769", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147820", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYBURIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147820, "molecule_chembl_id": "CHEMBL472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.01", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glibenclamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152344", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHENAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152344, "molecule_chembl_id": "CHEMBL1201270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "140.19", "alogp": "-1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methenamine (Mandelamine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1N2CN3CN1CN(C2)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959672", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPINASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959672, "molecule_chembl_id": "CHEMBL1106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Epinastine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.851", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCC2c3ccccc3Cc3ccccc3N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964279", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.54", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964279, "molecule_chembl_id": "CHEMBL1374426", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "290.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCN1C(=O)C=CC1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150218", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150218, "molecule_chembl_id": "CHEMBL250699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-803467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962012", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962012, "molecule_chembl_id": "CHEMBL179945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-27219"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959803", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959803, "molecule_chembl_id": "CHEMBL1870764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.16", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRT0044876"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957387", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PANTOPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957387, "molecule_chembl_id": "CHEMBL1502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PANTOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964417", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPTAN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964417, "molecule_chembl_id": "CHEMBL388676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.59", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Captan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959565", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959565, "molecule_chembl_id": "CHEMBL59898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-102807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964307", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.82", "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964307, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963960", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROBENECID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963960, "molecule_chembl_id": "CHEMBL897", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.36", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROBENECID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959561", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERIFOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959561, "molecule_chembl_id": "CHEMBL372764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.67", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Perifosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964166", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964166, "molecule_chembl_id": "CHEMBL4303544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.75", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-phenyl-1;2;3;4-tetrahydroisoquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CNCc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962051", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962051, "molecule_chembl_id": "CHEMBL1485629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.24", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-63197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c(C)cn2nc(N)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957594", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957594, "molecule_chembl_id": "CHEMBL3770173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OF-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959725", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959725, "molecule_chembl_id": "CHEMBL3782004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.17", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TH588"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958480", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958480, "molecule_chembl_id": "CHEMBL277525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959424", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRADIOL BENZOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959424, "molecule_chembl_id": "CHEMBL282575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.50", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ESTRADIOL BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963825", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAROXAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963825, "molecule_chembl_id": "CHEMBL2104164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.20", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caroxazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1Cc2ccccc2OC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URB-597", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963827, "molecule_chembl_id": "CHEMBL184238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.41", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "URB597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963831", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CATHARANTHINE BASE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963831, "molecule_chembl_id": "CHEMBL2163793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.44", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Catharanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963095", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOPAMIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963095, "molecule_chembl_id": "CHEMBL1200932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "777.09", "alogp": "-1.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Iopamidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962168", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOTHIEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962168, "molecule_chembl_id": "CHEMBL1711280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.91", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dosulepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962439", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUCINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962439, "molecule_chembl_id": "CHEMBL450195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rucinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962493", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962493, "molecule_chembl_id": "CHEMBL1410748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-methylquipazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3ccccc3n2)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962497", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANAGRELIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962497, "molecule_chembl_id": "CHEMBL1200759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.55", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANAGRELIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958737", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCTOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958737, "molecule_chembl_id": "CHEMBL1367565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCTOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958743", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958743, "molecule_chembl_id": "CHEMBL140784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.11", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetrazol-5-yl-glycine-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145739", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMFLUTIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145739, "molecule_chembl_id": "CHEMBL2106558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.25", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amflutizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145747", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145747, "molecule_chembl_id": "CHEMBL19231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AEG3482"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1nn2cc(-c3ccccc3)nc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958812", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958812, "molecule_chembl_id": "CHEMBL1742126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.74", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMEZANONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CCS(=O)(=O)[C@@H]1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964337", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPTAN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964337, "molecule_chembl_id": "CHEMBL388676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.59", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Captan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963989", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIKETOPIPERAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963989, "molecule_chembl_id": "CHEMBL125229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piperazinedione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CNC(=O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959471", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAFENOQUINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959471, "molecule_chembl_id": "CHEMBL298470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.50", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tafenoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-44.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154254", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.28", "bao_label": "organism-based format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154254, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5310.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151824", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYLSULFAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151824, "molecule_chembl_id": "CHEMBL2104196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.33", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYLSULFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154343", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.40", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154343, "molecule_chembl_id": "CHEMBL3913746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VPS34-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "400.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149419", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACAMPROSATE CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149419, "molecule_chembl_id": "CHEMBL2068724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "-0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACAMPROSATE CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148247, "molecule_chembl_id": "CHEMBL96606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.42", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY231617"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958417", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-METHOXYTRYPTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958417, "molecule_chembl_id": "CHEMBL8165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-METHOXYTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCN)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958420", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AURINTRICARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958420, "molecule_chembl_id": "CHEMBL275938", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.35", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AURINTRICARBOXYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145775", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145775, "molecule_chembl_id": "CHEMBL4303432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.48", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YM-244769"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)cc3)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958829", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROFENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958829, "molecule_chembl_id": "CHEMBL1368313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.93", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DROFENINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151822", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALFINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151822, "molecule_chembl_id": "CHEMBL2107771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "priralfinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149841", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLE-2-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149841, "molecule_chembl_id": "CHEMBL278390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.16", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDOLE-2-CARBOXYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153208", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BX-795", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153208, "molecule_chembl_id": "CHEMBL577784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.48", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BX-795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152389", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152389, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225 (NVP-LDE225; Erismodegib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149428", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149428, "molecule_chembl_id": "CHEMBL495498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.29", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MB05032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153933", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153933, "molecule_chembl_id": "CHEMBL2005379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diacetoxyscirpenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149432", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTAZIDIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149432, "molecule_chembl_id": "CHEMBL44354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.59", "alogp": "-1.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ceftazidime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145613", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CFI-400945", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145613, "molecule_chembl_id": "CHEMBL3408947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CFI-400945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153764", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPEBRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153764, "molecule_chembl_id": "CHEMBL3301625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AVL-292"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146515", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD3514", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146515, "molecule_chembl_id": "CHEMBL2346976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "2.83", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD3514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149063", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149063, "molecule_chembl_id": "CHEMBL850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPARFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149071", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN LYSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149071, "molecule_chembl_id": "CHEMBL1201141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.48", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibuprofen Lysine (NeoProfen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152495", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALMEFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152495, "molecule_chembl_id": "CHEMBL1201152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.90", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nalmefene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150833", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150833, "molecule_chembl_id": "CHEMBL1423437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG13022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C(/C#N)c2cccnc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150474", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150474, "molecule_chembl_id": "CHEMBL100259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.20", "alogp": "-2.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150873", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150873, "molecule_chembl_id": "CHEMBL4536840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.40", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEFICITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150484", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPRODISATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150484, "molecule_chembl_id": "CHEMBL2111092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.22", "alogp": "-0.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Eprodisate disodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146808", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOXYBENZAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146808, "molecule_chembl_id": "CHEMBL1200787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenoxybenzamine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153486", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINORELBINE TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153486, "molecule_chembl_id": "CHEMBL538943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1079.12", "alogp": "4.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vinorelbine (ditartrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148986", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148986, "molecule_chembl_id": "CHEMBL189477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.14", "alogp": "-0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP 37849"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\[C@@H](N)C(=O)O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147126", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147126, "molecule_chembl_id": "CHEMBL492572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.98", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0155069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151738", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-3759", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151738, "molecule_chembl_id": "CHEMBL3623290", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.91", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD3759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961708", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961708, "molecule_chembl_id": "CHEMBL562551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.70", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0361737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccccn2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146919", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146919, "molecule_chembl_id": "CHEMBL4070705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-amine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2ccn(-c3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151259", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDESONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151259, "molecule_chembl_id": "CHEMBL1370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "budesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146757", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146757, "molecule_chembl_id": "CHEMBL21156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyridone 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146929", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPARLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146929, "molecule_chembl_id": "CHEMBL2017974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BKM120 (NVP-BKM120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146244", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146244, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146844", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALEXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146844, "molecule_chembl_id": "CHEMBL1727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cephalexin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146851", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SINEFUNGIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146851, "molecule_chembl_id": "CHEMBL1214186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.39", "alogp": "-2.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sinefungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151359", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLTHIOURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151359, "molecule_chembl_id": "CHEMBL1330588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.18", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLTHIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146258", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146258, "molecule_chembl_id": "CHEMBL2325503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.97", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "G007-LK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153142", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW7647", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153142, "molecule_chembl_id": "CHEMBL21241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.77", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-7647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153268", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153268, "molecule_chembl_id": "CHEMBL1822336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GK921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147027", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1059615", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147027, "molecule_chembl_id": "CHEMBL3544966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.37", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK1059615"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151736", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA CAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151736, "molecule_chembl_id": "CHEMBL1293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.89", "alogp": "12.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "alphaCarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151159", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151159, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pelitinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146658", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETHOBENZAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146658, "molecule_chembl_id": "CHEMBL1200887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.93", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHOBENZAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151163", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALENDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151163, "molecule_chembl_id": "CHEMBL870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.10", "alogp": "-1.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALENDRONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(O)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146660", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTICASONE PROPIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146660, "molecule_chembl_id": "CHEMBL1473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.58", "alogp": "4.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUTICASONE PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151165", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151165, "molecule_chembl_id": "CHEMBL31965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CANERTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147039", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147039, "molecule_chembl_id": "CHEMBL312750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eupatilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146559", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROTENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146559, "molecule_chembl_id": "CHEMBL429023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.42", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROTENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150668", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150668, "molecule_chembl_id": "CHEMBL4563773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "calcipotriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C/C=C2\\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146581", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHORBOL MYRISTATE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146581, "molecule_chembl_id": "CHEMBL279115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.84", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "phorbol 12-myristate 13-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146313", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146313, "molecule_chembl_id": "CHEMBL224720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "7.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SEW-2871"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147050", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEBRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147050, "molecule_chembl_id": "CHEMBL2104682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.27", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nebracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CC(=O)N(Cc2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145525", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145525, "molecule_chembl_id": "CHEMBL33859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.01", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKT-077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)/c(=C2\\Sc3ccccc3N2C)s/c1=C\\c1cccc[n+]1CC.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962003", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962003, "molecule_chembl_id": "CHEMBL37161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957406", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "S-ADENOSYLHOMOCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957406, "molecule_chembl_id": "CHEMBL418052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.42", "alogp": "-1.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S-ADENOSYLHOMOCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146665", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146665, "molecule_chembl_id": "CHEMBL269671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTEMISININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957853", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOTROPIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957853, "molecule_chembl_id": "CHEMBL1900528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.52", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOTROPIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958947", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORITAVANCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958947, "molecule_chembl_id": "CHEMBL1688530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1793.12", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Oritavancin (diphosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.699", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957869", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957869, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sapanisertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958616", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958616, "molecule_chembl_id": "CHEMBL425618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Maraviroc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3381", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963534", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963534, "molecule_chembl_id": "CHEMBL2391504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spautin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.506", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154579", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154579, "molecule_chembl_id": "CHEMBL1562779", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KD-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.17", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150082", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150082, "molecule_chembl_id": "CHEMBL1568415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.36", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "10058-F4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C2/SC(=S)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150021", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOREPINEPHRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150021, "molecule_chembl_id": "CHEMBL1437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.18", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Noradrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150330", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150330, "molecule_chembl_id": "CHEMBL158897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RHC-80267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149549", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHOSPHORAMIDON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149549, "molecule_chembl_id": "CHEMBL479579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.51", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Phosphoramidon (Disodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NP(=O)(O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149090", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIMETHOXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149090, "molecule_chembl_id": "CHEMBL62193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADIMETHOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963523", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963523, "molecule_chembl_id": "CHEMBL23094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2';3'-dideoxyadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150007", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150007, "molecule_chembl_id": "CHEMBL4577612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monomethyl fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C=CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963581", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAVOXERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963581, "molecule_chembl_id": "CHEMBL3544964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Ravoxertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958983", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRUCEANTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958983, "molecule_chembl_id": "CHEMBL509895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.59", "alogp": "1.15", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Bruceantin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\\C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962464", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962464, "molecule_chembl_id": "CHEMBL3752911", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.346", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962386", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962386, "molecule_chembl_id": "CHEMBL422037", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.21", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CB-10-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEROSPIRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963553, "molecule_chembl_id": "CHEMBL1472975", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Perospirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963554", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NERATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963554, "molecule_chembl_id": "CHEMBL180022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.05", "alogp": "5.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Neratinib (HKI-272)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963558", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REFAMETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963558, "molecule_chembl_id": "CHEMBL1236682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "572.34", "alogp": "3.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Refametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963561", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELTA-TOCOTRIENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963561, "molecule_chembl_id": "CHEMBL121305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.62", "alogp": "7.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "delta-Tocotrienol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.788", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959771", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXATOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959771, "molecule_chembl_id": "CHEMBL13828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxatomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958720", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958720, "molecule_chembl_id": "CHEMBL2093113", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.25", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pomalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964390", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964390, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964392", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964392, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959559", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUCETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959559, "molecule_chembl_id": "CHEMBL1697856", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUCETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=O)CC(C)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964165", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964165, "molecule_chembl_id": "CHEMBL407009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "745.43", "alogp": "-2.57", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADPH (tetracyclohexanamine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.993", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957590", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957590, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962978", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-9496", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962978, "molecule_chembl_id": "CHEMBL3623004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD9496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.538", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964248", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.59", "bao_label": "assay format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964248, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nordihydroguaiaretic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959217", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959217, "molecule_chembl_id": "CHEMBL1473875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlorcyclizine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959661", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYANOCOBALAMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959661, "molecule_chembl_id": "CHEMBL2110563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1356.40", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CYANOCOBALAMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958492", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURPUROGALLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958492, "molecule_chembl_id": "CHEMBL66953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.18", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURPUROGALLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)cccc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959238", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959238, "molecule_chembl_id": "CHEMBL249818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butylphthalide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H]1OC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957804", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957804, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZONISAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958206", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958206, "molecule_chembl_id": "CHEMBL374632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coumarin 7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957715", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957715, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1; PPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964053", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964053, "molecule_chembl_id": "CHEMBL369225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.52", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961982", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURVALANOLA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961982, "molecule_chembl_id": "CHEMBL23327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "purvalanol-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957384", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957384, "molecule_chembl_id": "CHEMBL2313646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HJC0350"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957385", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PD-169316", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957385, "molecule_chembl_id": "CHEMBL17331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.35", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 169316"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962333", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962333, "molecule_chembl_id": "CHEMBL4303348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glutathione-monoisopropyl-ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963934", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963934, "molecule_chembl_id": "CHEMBL4303484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.64", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICG-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962268", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DABIGATRAN ETEXILATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962268, "molecule_chembl_id": "CHEMBL539697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "627.75", "alogp": "5.60", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BIBR-1048 (Dabigatran)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)/N=C(\\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958595", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958595, "molecule_chembl_id": "CHEMBL1610678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETAMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958597", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958597, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHINYL ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150699", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150699, "molecule_chembl_id": "CHEMBL4303152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.24", "alogp": "-2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Guanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146096", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOCICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146096, "molecule_chembl_id": "CHEMBL3545110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribociclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150431", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150431, "molecule_chembl_id": "CHEMBL4303653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "682.81", "alogp": "2.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "methyllycaconitine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C2[C@H](OC)[C@](O)([C@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150689", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150689, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "Ebselen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150698", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FESOTERODINE FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150698, "molecule_chembl_id": "CHEMBL1201765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.66", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fesoterodine Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM MONOFLUOROPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146198, "molecule_chembl_id": "CHEMBL1908359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.95", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SODIUM MONOFLUOROPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])([O-])F.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959625", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959625, "molecule_chembl_id": "CHEMBL1498001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KL-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957660", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAMETHASONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957660, "molecule_chembl_id": "CHEMBL632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexamethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962261", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962261, "molecule_chembl_id": "CHEMBL229008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.58", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-566419"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152990", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOTRIMAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152990, "molecule_chembl_id": "CHEMBL104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOTRIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958726", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958726, "molecule_chembl_id": "CHEMBL593013", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.57", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BINA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958456", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958456, "molecule_chembl_id": "CHEMBL83547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.37", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD006321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958461", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958461, "molecule_chembl_id": "CHEMBL1605691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.13", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML318 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccc(Cl)cc1)c1cccc(Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147869", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUMATRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147869, "molecule_chembl_id": "CHEMBL128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.41", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUMATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152380", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152380, "molecule_chembl_id": "CHEMBL4084106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-04885614"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963204", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963204, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.857", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958603", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958603, "molecule_chembl_id": "CHEMBL1896987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.84", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alizapride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963294", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAROGLITAZAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963294, "molecule_chembl_id": "CHEMBL4297530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Saroglitazar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.894", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958607", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICI-89406", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958607, "molecule_chembl_id": "CHEMBL11268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.41", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-89406"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADELMIDROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963215, "molecule_chembl_id": "CHEMBL2105967", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.36", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ADELMIDROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.567", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCCC(=O)NCCO)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959458", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CADRALAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959458, "molecule_chembl_id": "CHEMBL2106561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "0.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cadralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.669", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958236", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958236, "molecule_chembl_id": "CHEMBL1672293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.62", "alogp": "2.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(SC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958242", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958242, "molecule_chembl_id": "CHEMBL592712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.51", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-322351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152778", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2608204", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152778, "molecule_chembl_id": "CHEMBL4297399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "559.82", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "LY2608204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148374", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148374, "molecule_chembl_id": "CHEMBL4575751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-105574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152878", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152878, "molecule_chembl_id": "CHEMBL1553629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.96", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Org 27569"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148378", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLARITHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148378, "molecule_chembl_id": "CHEMBL1741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "747.96", "alogp": "2.44", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CLARITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152381", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "8-OH-DPAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152381, "molecule_chembl_id": "CHEMBL56", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.38", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-OH-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963195", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FURAMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963195, "molecule_chembl_id": "CHEMBL1964991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.81", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "furamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959614", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959614, "molecule_chembl_id": "CHEMBL186063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mabuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NCCO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961957", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961957, "molecule_chembl_id": "CHEMBL3393599", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.54", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-3576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.509", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4cccc(C)c4)cn3)c2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957291", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957291, "molecule_chembl_id": "CHEMBL134074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS 504393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959136", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959136, "molecule_chembl_id": "CHEMBL3601951", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.39", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS2002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(-c2ccc3occ(-c4ccc([S+](C)[O-])cc4)c3c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963300", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NESBUVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963300, "molecule_chembl_id": "CHEMBL1092581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.50", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nesbuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959137", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959137, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rivaroxaban (Xarelto)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963253", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963253, "molecule_chembl_id": "CHEMBL3186037", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.47", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHS-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CNc1ccnc(NCc2csc(-c3ccccc3)n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146095", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AKLOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146095, "molecule_chembl_id": "CHEMBL1450565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.58", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AKLOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc([N+](=O)[O-])cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145736", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE ACEPONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145736, "molecule_chembl_id": "CHEMBL1697782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.58", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylprednisolone-aceponate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150498", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150498, "molecule_chembl_id": "CHEMBL4303201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.45", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anlotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146992", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146992, "molecule_chembl_id": "CHEMBL4303356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefathiamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CS/C(=N/C(C)C)NC(C)C)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150501", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150501, "molecule_chembl_id": "CHEMBL542541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.64", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDRALAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147207", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXEDRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147207, "molecule_chembl_id": "CHEMBL33720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXEDRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147003", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147003, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147353", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147353, "molecule_chembl_id": "CHEMBL4303593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.73", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVE 0991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(OC)c2C=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151859", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151859, "molecule_chembl_id": "CHEMBL4303450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.64", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tebipenem pivoxil (L-084)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@H](C)O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149300", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPICAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149300, "molecule_chembl_id": "CHEMBL1089318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.17", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "opicapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151717", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW9508", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151717, "molecule_chembl_id": "CHEMBL207881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-9508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153805", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCHLORPERAZINE EDISYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153805, "molecule_chembl_id": "CHEMBL1201154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.15", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCHLORPERAZINE EDISYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149850", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149850, "molecule_chembl_id": "CHEMBL1401324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.42", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-554"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151078", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151078, "molecule_chembl_id": "CHEMBL1256924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.65", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-100635 Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150861", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150861, "molecule_chembl_id": "CHEMBL470334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.41", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VER-155008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146265", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSARTAN POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146265, "molecule_chembl_id": "CHEMBL995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.01", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "losartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151310", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151310, "molecule_chembl_id": "CHEMBL4303576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.49", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nibentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963530", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963530, "molecule_chembl_id": "CHEMBL125569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.44", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMY-45778"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-52.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962350", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHRYSOPHANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962350, "molecule_chembl_id": "CHEMBL41092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chrysophanic_acid (Chrysophanol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.431", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964087", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964087, "molecule_chembl_id": "CHEMBL1553155", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.31", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound-w"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.728", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964013", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORAMPHENICOL PALMITATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964013, "molecule_chembl_id": "CHEMBL1506", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.55", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORAMPHENICOL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958773", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958773, "molecule_chembl_id": "CHEMBL2171250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.72", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958520", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958520, "molecule_chembl_id": "CHEMBL261777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.29", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-48.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958533", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958533, "molecule_chembl_id": "CHEMBL598952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.16", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ODQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1onc2cnc3ccccc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963828", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMITAPIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963828, "molecule_chembl_id": "CHEMBL354541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "693.73", "alogp": "8.38", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lomitapide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963386", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963386, "molecule_chembl_id": "CHEMBL383144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.27", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-methyladenosine (m6A)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963388", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROXATIDINE ACETATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963388, "molecule_chembl_id": "CHEMBL2104871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.90", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Roxatidine (Acetate Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2081", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148963", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148963, "molecule_chembl_id": "CHEMBL1703336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.79", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REBAMIPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](Cc1cc(O)nc2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958179", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958179, "molecule_chembl_id": "CHEMBL1607206", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.39", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-304411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962783", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962783, "molecule_chembl_id": "CHEMBL372199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.93", "alogp": "4.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRK-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958918", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958918, "molecule_chembl_id": "CHEMBL3039312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "585.61", "alogp": "-8.42", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "AMIKACIN HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958842", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958842, "molecule_chembl_id": "CHEMBL354048", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.51", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sclareol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963011", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963011, "molecule_chembl_id": "CHEMBL4303685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.46", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HLCL-61 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958589", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958589, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clevidipine Butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963353", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963353, "molecule_chembl_id": "CHEMBL1990474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-632839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2\\CNC/C(=C\\c3ccc(C)cc3)C2=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959657", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959657, "molecule_chembl_id": "CHEMBL1255658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.25", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Hydroxydecanoate . sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.591", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(O)CCCC(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963869", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMOPYRUVATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963869, "molecule_chembl_id": "CHEMBL177837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.96", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Bromopyruvic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)CBr", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959267", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959267, "molecule_chembl_id": "CHEMBL1334817", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.32", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "siguazodan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N\\c1ccc(C2=NNC(=O)C[C@@H]2C)cc1)NC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958746", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958746, "molecule_chembl_id": "CHEMBL3116252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "597.67", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dofequidar (fumarate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963615", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARMODAFINIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963615, "molecule_chembl_id": "CHEMBL1201192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARMODAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.232", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958969", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958969, "molecule_chembl_id": "CHEMBL4303336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.95", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "tropesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(C(=O)O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963972", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963972, "molecule_chembl_id": "CHEMBL480626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.33", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BHQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964001", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METARAMINOL BITARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964001, "molecule_chembl_id": "CHEMBL2062262", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.29", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METARAMINOL BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.633", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963514", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963514, "molecule_chembl_id": "CHEMBL4303694", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-demethylantipyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.499", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959435", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959435, "molecule_chembl_id": "CHEMBL53292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957861", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957861, "molecule_chembl_id": "CHEMBL52030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.37", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-655,708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIVAMPICILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149852, "molecule_chembl_id": "CHEMBL3182343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pivampicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147847", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147847, "molecule_chembl_id": "CHEMBL4290012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.71", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "abemaciclib (LY2835219)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149403", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149403, "molecule_chembl_id": "CHEMBL1491962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.45", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0240551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146633", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDAFOTEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146633, "molecule_chembl_id": "CHEMBL90564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.19", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "midafotel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1CN(C/C=C/P(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146634", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINODRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146634, "molecule_chembl_id": "CHEMBL319144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.15", "alogp": "-0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Minodronic_acid Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153920", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153920, "molecule_chembl_id": "CHEMBL4303503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oridonin (Isodonol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149028", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-754807", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149028, "molecule_chembl_id": "CHEMBL575448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.51", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-754807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149298", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-38877605", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149298, "molecule_chembl_id": "CHEMBL2133806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.36", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ-38877605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148972", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-ADRENALINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148972, "molecule_chembl_id": "CHEMBL42280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149184", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALAFOSFALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149184, "molecule_chembl_id": "CHEMBL3989665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.14", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alafosfalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](C)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150930", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE I", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150930, "molecule_chembl_id": "CHEMBL363535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.29", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanshinone I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146535", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146535, "molecule_chembl_id": "CHEMBL4303637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "4186.64", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Exendin-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150287, "molecule_chembl_id": "CHEMBL59461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.65", "alogp": "0.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Argatroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150297", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150297, "molecule_chembl_id": "CHEMBL4303730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bimatoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150408", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMECAMTIV MECARBIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150408, "molecule_chembl_id": "CHEMBL1800955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omecamtiv mecarbil (CK-1827452)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145909", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINTRIAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145909, "molecule_chembl_id": "CHEMBL2107098", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINTRIAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(N)=O)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150414", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VTP-27999", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150414, "molecule_chembl_id": "CHEMBL1276678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.09", "alogp": "3.58", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "VTP-27999 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145991", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145991, "molecule_chembl_id": "CHEMBL3186179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 344864 racemate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147088", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIGUSTILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147088, "molecule_chembl_id": "CHEMBL481246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ligustilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/C=C1\\OC(=O)C2=C1CCC=C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151413", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151413, "molecule_chembl_id": "CHEMBL464552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.58", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1838705A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146912", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146912, "molecule_chembl_id": "CHEMBL4303624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.92", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Beclomethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153478", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153478, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CELECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153480", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153480, "molecule_chembl_id": "CHEMBL1457550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPICAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151676", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACARBAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151676, "molecule_chembl_id": "CHEMBL139877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFACARBAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147111", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147111, "molecule_chembl_id": "CHEMBL1200396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.90", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUPIVACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151821", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARITAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151821, "molecule_chembl_id": "CHEMBL3391662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.89", "alogp": "3.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Paritaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149317", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZOLASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149317, "molecule_chembl_id": "CHEMBL94454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mizolastine (Mizollen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145626", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145626, "molecule_chembl_id": "CHEMBL101168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "134.14", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Aminobenzotriazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nn1nnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145629", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDARUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145629, "molecule_chembl_id": "CHEMBL1200976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "533.96", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idarubicin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145635", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYROSOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145635, "molecule_chembl_id": "CHEMBL53566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.17", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYROSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145636", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAVESTINEL SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145636, "molecule_chembl_id": "CHEMBL419045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.19", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gavestinel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148724", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148724, "molecule_chembl_id": "CHEMBL4303350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Ethyl (-)-Thiazolidine-3;4-dicarboxylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148807", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUTEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148807, "molecule_chembl_id": "CHEMBL173929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.89", "alogp": "10.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "lutein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148137", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSAMPRENAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148137, "molecule_chembl_id": "CHEMBL1664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.62", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "fosamprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153173", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153173, "molecule_chembl_id": "CHEMBL1236620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.19", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KH-CB19"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(/C(C#N)=C\\N)c2ccc(Cl)c(Cl)c2n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147897", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147897, "molecule_chembl_id": "CHEMBL4303548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.50", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANA-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153729", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153729, "molecule_chembl_id": "CHEMBL1475191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "deptropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147228", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147228, "molecule_chembl_id": "CHEMBL1607206", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.39", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-304411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149158", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149158, "molecule_chembl_id": "CHEMBL4303166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "centpropazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147241", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRAFINIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147241, "molecule_chembl_id": "CHEMBL93077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.36", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrafinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153562", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFAZODONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153562, "molecule_chembl_id": "CHEMBL623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.02", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFAZODONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149146", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149146, "molecule_chembl_id": "CHEMBL1358012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spiroxatrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(C[C@H]1COc3ccccc3O1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153670", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARIFENACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153670, "molecule_chembl_id": "CHEMBL1346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DARIFENACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153776", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153776, "molecule_chembl_id": "CHEMBL593019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.20", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pyridoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CN)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958569", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958569, "molecule_chembl_id": "CHEMBL1486475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.30", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifurtimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958574", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958574, "molecule_chembl_id": "CHEMBL1628668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.63", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "W-54011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958578", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958578, "molecule_chembl_id": "CHEMBL4303154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.52", "alogp": "-0.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Oleuropein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958551", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958551, "molecule_chembl_id": "CHEMBL483091", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "118.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Isopropyl-Isothiourea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)SC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963220", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963220, "molecule_chembl_id": "CHEMBL1813048", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.52", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-N-1752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958241", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958241, "molecule_chembl_id": "CHEMBL1543306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.62", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SF 11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958560", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958560, "molecule_chembl_id": "CHEMBL125044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV666026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959005", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959005, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIMONACIC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963978", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963978, "molecule_chembl_id": "CHEMBL1200941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.28", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964044", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VITAMIN E", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964044, "molecule_chembl_id": "CHEMBL47", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.72", "alogp": "8.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "vitamin-E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963027", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963027, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nelfinavir Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963028", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963028, "molecule_chembl_id": "CHEMBL39372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-carboxy-3-hydroxyphenylglycine-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958436", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KRESOXIM-METHYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958436, "molecule_chembl_id": "CHEMBL203191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KRESOXIM-METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958438", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958438, "molecule_chembl_id": "CHEMBL1401670", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.54", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(CN2CCOCCOCCN(Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962830", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962830, "molecule_chembl_id": "CHEMBL1720563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.60", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-50260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962652", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRENOXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962652, "molecule_chembl_id": "CHEMBL1372341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.25", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirenoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958373", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "1,3-DICYCLOHEXYLUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958373, "molecule_chembl_id": "CHEMBL1458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.35", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N'-Dicyclohexylurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCCCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958006", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958006, "molecule_chembl_id": "CHEMBL7130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.72", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD081715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963822", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIAMTERENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963822, "molecule_chembl_id": "CHEMBL585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.27", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIAMTERENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957872", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LASMIDITAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957872, "molecule_chembl_id": "CHEMBL3039520", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.37", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LASMIDITAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958921", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958921, "molecule_chembl_id": "CHEMBL4303451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.74", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphorylcholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963527", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERDAFITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963527, "molecule_chembl_id": "CHEMBL3545376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.56", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erdafitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958207", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958207, "molecule_chembl_id": "CHEMBL103469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-BCP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959503", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRASUGREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959503, "molecule_chembl_id": "CHEMBL1201772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.45", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prasugrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964108", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964108, "molecule_chembl_id": "CHEMBL592652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-0660"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959648", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-EFLORNITHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959648, "molecule_chembl_id": "CHEMBL536971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.63", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Eflornithine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCCC(N)(C(=O)O)C(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959216", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959216, "molecule_chembl_id": "CHEMBL64239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SQ-22536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1CCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963002", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VESATOLIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963002, "molecule_chembl_id": "CHEMBL2424780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.52", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vesatolimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958204", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958204, "molecule_chembl_id": "CHEMBL1562223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spironolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958368", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958368, "molecule_chembl_id": "CHEMBL1529736", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.10", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-9741"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nn1cnnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959203", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRIMAQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959203, "molecule_chembl_id": "CHEMBL43128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.34", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMAQUINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963914", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963914, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STAVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958521", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958521, "molecule_chembl_id": "CHEMBL1617166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.46", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD120665"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(C(C)C)C(OC(=O)Cn2c(-c3ccc(Br)cc3)[n+](C)c3ccccc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959481", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-MIDODRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959481, "molecule_chembl_id": "CHEMBL255026", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIDODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963433", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAZOXIBEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963433, "molecule_chembl_id": "CHEMBL267473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dazoxiben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(OCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963410", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963410, "molecule_chembl_id": "CHEMBL63902", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "148.12", "alogp": "-1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-asparagine-n-hydroxy"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)NO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962784", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAFURAMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962784, "molecule_chembl_id": "CHEMBL319669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pafuramidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963811", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FELBINAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963811, "molecule_chembl_id": "CHEMBL413965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELBINAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147209", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147209, "molecule_chembl_id": "CHEMBL74987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydroxyphenylglycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147212", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFORANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147212, "molecule_chembl_id": "CHEMBL1201046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "-0.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceforanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963180", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BITOSCANATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963180, "molecule_chembl_id": "CHEMBL2104676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.27", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BITOSCANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1ccc(N=C=S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960789", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960789, "molecule_chembl_id": "CHEMBL1622371", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.50", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINPA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.815", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956019", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEMESETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956019, "molecule_chembl_id": "CHEMBL2107804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bemesetron\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149680", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFAMPRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149680, "molecule_chembl_id": "CHEMBL354077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amifampridine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828856", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOPROPIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828856, "molecule_chembl_id": "CHEMBL1605835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.18", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flopropione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148384", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAZINE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148384, "molecule_chembl_id": "CHEMBL303580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.23", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gabazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152612", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYLENASTRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152612, "molecule_chembl_id": "CHEMBL394880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.40", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHYLENASTRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C2=C(C1)NC(=S)NC2c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148457", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148457, "molecule_chembl_id": "CHEMBL441095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.53", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-142633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956744", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956744, "molecule_chembl_id": "CHEMBL569864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.65", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX-01294"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956716", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "O-DEMETHYLATED ADAPALENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956716, "molecule_chembl_id": "CHEMBL1180", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147204", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147204, "molecule_chembl_id": "CHEMBL4303255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pikamilone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCNC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833557", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDAGLITAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833557, "molecule_chembl_id": "CHEMBL3990804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EDAGLITAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152825", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152825, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147774", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147774, "molecule_chembl_id": "CHEMBL372797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.30", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UBP-302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)O)c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152841", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152841, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Neflamapimod\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147788", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147788, "molecule_chembl_id": "CHEMBL4303371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+/-)-exo;exo-2;3-camphanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148340", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148340, "molecule_chembl_id": "CHEMBL4072005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC-707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151984", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151984, "molecule_chembl_id": "CHEMBL4303719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.45", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JTE-607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(OCCN2CCN(C)CC2)c(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152578", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152578, "molecule_chembl_id": "CHEMBL1577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyclothiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148188", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148188, "molecule_chembl_id": "CHEMBL436559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.35", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cariporide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151616", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151616, "molecule_chembl_id": "CHEMBL57242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.46", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azilsartan (TAK-536)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147949", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147949, "molecule_chembl_id": "CHEMBL77862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.69", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDRA-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Nc2ccc(Cl)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961235", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961235, "molecule_chembl_id": "CHEMBL2313646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HJC-0350"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.885", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956104", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956104, "molecule_chembl_id": "CHEMBL499458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "824.97", "alogp": "3.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "vincristine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960664", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARIPORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960664, "molecule_chembl_id": "CHEMBL436559", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.35", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cariporide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151800", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151800, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sonidegib phosphate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961125", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961125, "molecule_chembl_id": "CHEMBL353759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.40", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-41-2272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955615", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOXAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955615, "molecule_chembl_id": "CHEMBL593019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.20", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pyridoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CN)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960406", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960406, "molecule_chembl_id": "CHEMBL1256773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.25", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-205-557"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147567", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147567, "molecule_chembl_id": "CHEMBL4071864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.40", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2982772"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145550", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145550, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152075", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELNIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152075, "molecule_chembl_id": "CHEMBL1275868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.66", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Azelnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147570", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147570, "molecule_chembl_id": "CHEMBL479014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.03", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-bromo-7-Nitroindazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2c(Br)n[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151590", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151590, "molecule_chembl_id": "CHEMBL1405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "estrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151411", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACROLIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151411, "molecule_chembl_id": "CHEMBL269732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "804.03", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tacrolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147096", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147096, "molecule_chembl_id": "CHEMBL447347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ST-1859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151600", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151600, "molecule_chembl_id": "CHEMBL214796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.34", "alogp": "6.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2295"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151605", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONOCTANOIN COMPONENT A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151605, "molecule_chembl_id": "CHEMBL1570482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.29", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monoctanoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151510", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151510, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Galunisertib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151511", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUMOSETRAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151511, "molecule_chembl_id": "CHEMBL1643880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.39", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pumosetrag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152258", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152258, "molecule_chembl_id": "CHEMBL2135566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.29", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Picrotoxinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147754", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIOCIGUAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147754, "molecule_chembl_id": "CHEMBL2107834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riociguat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147759", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-593", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147759, "molecule_chembl_id": "CHEMBL2180604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.48", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TAK-593"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956054", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956054, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Linagliptin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956070", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAVITOCLAX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956070, "molecule_chembl_id": "CHEMBL443684", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "974.63", "alogp": "8.83", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "Navitoclax\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956073", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALOXIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956073, "molecule_chembl_id": "CHEMBL81", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.59", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "raloxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960848", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAPENTADOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960848, "molecule_chembl_id": "CHEMBL1201777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.81", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tapentadol (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960069", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960069, "molecule_chembl_id": "CHEMBL57997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.80", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956075", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COROSOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956075, "molecule_chembl_id": "CHEMBL391533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "2alpha-hydroxyursolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152199", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152199, "molecule_chembl_id": "CHEMBL3605457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "3.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CPI-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955645", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOLEVULINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955645, "molecule_chembl_id": "CHEMBL601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002589919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956294", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956294, "molecule_chembl_id": "CHEMBL3940387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.62", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2857785"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956270", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETC-159", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956270, "molecule_chembl_id": "CHEMBL3633802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ETC-159"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nn2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956327", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956327, "molecule_chembl_id": "CHEMBL4525049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.94", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CDK9-IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956382", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956382, "molecule_chembl_id": "CHEMBL3781415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961454", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961454, "molecule_chembl_id": "CHEMBL2361649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.76", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atipamezole (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2cnc[nH]2)Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961522", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDRONIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961522, "molecule_chembl_id": "CHEMBL4297288", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "F351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.336", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccc(O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961012", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESZOPICLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961012, "molecule_chembl_id": "CHEMBL1522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESZOPICLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959722", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-PICOLINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959722, "molecule_chembl_id": "CHEMBL72628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "picolinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956259", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956259, "molecule_chembl_id": "CHEMBL469045", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.50", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(E/Z)-ISTAROXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956260", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956260, "molecule_chembl_id": "CHEMBL4216588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.53", "alogp": "5.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CCT196969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956582", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956582, "molecule_chembl_id": "CHEMBL1230714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K02288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960961", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960961, "molecule_chembl_id": "CHEMBL1963131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB 3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960307", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHRADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960307, "molecule_chembl_id": "CHEMBL1604", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefradine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147706", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147706, "molecule_chembl_id": "CHEMBL3909511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK503"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151797", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLATE MOFETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151797, "molecule_chembl_id": "CHEMBL1456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLATE MOFETIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUCALOPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152215, "molecule_chembl_id": "CHEMBL117287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prucalopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147711", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147711, "molecule_chembl_id": "CHEMBL1255750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.31", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QX-314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147304", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147304, "molecule_chembl_id": "CHEMBL23094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2';3'-dideoxyadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960390", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHLORETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960390, "molecule_chembl_id": "CHEMBL45068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phloretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955619", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955619, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pelitinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955633", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955633, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Art"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152072", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROXOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152072, "molecule_chembl_id": "CHEMBL1454910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROXOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147568", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAMOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147568, "molecule_chembl_id": "CHEMBL418192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tolamolol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152081", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIGATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152081, "molecule_chembl_id": "CHEMBL3545311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.11", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Brigatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147578", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147578, "molecule_chembl_id": "CHEMBL1312730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-273567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147093", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAMANDOLE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147093, "molecule_chembl_id": "CHEMBL1360024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.50", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cefamandole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147098", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMEZINIUM METILSULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147098, "molecule_chembl_id": "CHEMBL2106667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.34", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amezinium methyl sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].COc1cc(N)cn[n+]1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959438", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959438, "molecule_chembl_id": "CHEMBL1231358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "blebbistatin-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960258", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERGAPTEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960258, "molecule_chembl_id": "CHEMBL24171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BERGAPTEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2ccoc2cc2oc(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955981", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955981, "molecule_chembl_id": "CHEMBL444711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Perillyl alcohol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)C1CC=C(CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960542", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960542, "molecule_chembl_id": "CHEMBL4065484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.41", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EED226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960514", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXMEDETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960514, "molecule_chembl_id": "CHEMBL2106195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexmedetomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960876", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960876, "molecule_chembl_id": "CHEMBL4303270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Ergothioneine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956383", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956383, "molecule_chembl_id": "CHEMBL3109036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.52", "alogp": "5.63", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RO8994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961515", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOBAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961515, "molecule_chembl_id": "CHEMBL239800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.69", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "fenobam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147083", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147083, "molecule_chembl_id": "CHEMBL4303221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.55", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "StemRegenin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147746", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TULOBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147746, "molecule_chembl_id": "CHEMBL1256478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.20", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TULOBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147748", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147748, "molecule_chembl_id": "CHEMBL476833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.22", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961411", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAXOPRODIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961411, "molecule_chembl_id": "CHEMBL17350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CP 101606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960564", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960564, "molecule_chembl_id": "CHEMBL296908", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.55", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fuscoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.418", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955641", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OZAGREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955641, "molecule_chembl_id": "CHEMBL11662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ozagrel sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955676", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955676, "molecule_chembl_id": "CHEMBL4303575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,3-cis/exo-Camphanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960472", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960472, "molecule_chembl_id": "CHEMBL4303272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.69", "alogp": "7.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NDT-9513727"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964234", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.63", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964234, "molecule_chembl_id": "CHEMBL168067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.44", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150366", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTOBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150366, "molecule_chembl_id": "CHEMBL182319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.66", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALTOBULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150375", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150375, "molecule_chembl_id": "CHEMBL4303498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxymetholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC(C=O)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147647", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAPIDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147647, "molecule_chembl_id": "CHEMBL132767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.26", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trapidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1cc(C)nc2ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147652", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLEMANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147652, "molecule_chembl_id": "CHEMBL18972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-11939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152309", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152309, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152240", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMETHIXENE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152240, "molecule_chembl_id": "CHEMBL1523827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMETHIXENE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147658", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILNACIPRAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147658, "molecule_chembl_id": "CHEMBL4297064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.81", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILNACIPRAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152614", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152614, "molecule_chembl_id": "CHEMBL3808844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.56", "alogp": "6.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LDC1267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152250", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152250, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152963", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMOTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152963, "molecule_chembl_id": "CHEMBL902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMOTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154614", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154614, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152276", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152276, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Troxipide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960996", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960996, "molecule_chembl_id": "CHEMBL2360084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.90", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zuclopenthixol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152687", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152687, "molecule_chembl_id": "CHEMBL4303625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-118804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4cccnc4)cc3)oc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150110", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFABENZAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150110, "molecule_chembl_id": "CHEMBL1243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.32", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFABENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961550", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APILIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961550, "molecule_chembl_id": "CHEMBL4297643", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Apilimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961560", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961560, "molecule_chembl_id": "CHEMBL4303575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-exo-camphanediol-2;3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.939", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961561", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961561, "molecule_chembl_id": "CHEMBL1254024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.56", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OT-R-antagonist-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1/C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRENPERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960827, "molecule_chembl_id": "CHEMBL18331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirenperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963833", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUISQUALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963833, "molecule_chembl_id": "CHEMBL279956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.13", "alogp": "-2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Quisqualic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963837", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-461364", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963837, "molecule_chembl_id": "CHEMBL1908394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK461364"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9907", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955756", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARUNDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955756, "molecule_chembl_id": "CHEMBL446452", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Diindolylmethane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-38.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960753", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFN-1252", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960753, "molecule_chembl_id": "CHEMBL1652621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFN-1252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960053", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENACLON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960053, "molecule_chembl_id": "CHEMBL2106620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.69", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENACLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152032", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152032, "molecule_chembl_id": "CHEMBL88588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org 25543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152218", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152218, "molecule_chembl_id": "CHEMBL489156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150090", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXAMORELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150090, "molecule_chembl_id": "CHEMBL108335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "887.06", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "examorelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154616", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154616, "molecule_chembl_id": "CHEMBL3781415", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959427", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959427, "molecule_chembl_id": "CHEMBL1456284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NKY-80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-50.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc2c(n1)CC(c1ccco1)CC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147713", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147713, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152455", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152455, "molecule_chembl_id": "CHEMBL4303495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.61", "alogp": "6.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Gue 1654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146968", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULMAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146968, "molecule_chembl_id": "CHEMBL286020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulmazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([S+](C)[O-])ccc1-c1nc2ccc[nH]c-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147978", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147978, "molecule_chembl_id": "CHEMBL4303254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.51", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTT-3033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152490", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPROPTERIN DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152490, "molecule_chembl_id": "CHEMBL1201775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.17", "alogp": "-1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "sapropterin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147198", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147198, "molecule_chembl_id": "CHEMBL4089840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UPF-1069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151705", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAPIPRANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151705, "molecule_chembl_id": "CHEMBL3039498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.62", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Grapiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148065", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVISOPRENALINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148065, "molecule_chembl_id": "CHEMBL460574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOPROTERENOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148043", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEDROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148043, "molecule_chembl_id": "CHEMBL1974890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Cedrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148623", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMOTRIGINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148623, "molecule_chembl_id": "CHEMBL741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.10", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LAMOTRIGINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148907", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148907, "molecule_chembl_id": "CHEMBL1516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Olmesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153339", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153339, "molecule_chembl_id": "CHEMBL3393607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNK-IN-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148841", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148841, "molecule_chembl_id": "CHEMBL169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "(+)-Ursolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149213", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICUMAROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149213, "molecule_chembl_id": "CHEMBL1466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.30", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICUMAROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149215", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149215, "molecule_chembl_id": "CHEMBL188528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-200070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149223", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIARAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149223, "molecule_chembl_id": "CHEMBL274239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.85", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tiaramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153726", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-0166285", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153726, "molecule_chembl_id": "CHEMBL3545196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.36", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "PD-166285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148811", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROSARTAN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148811, "molecule_chembl_id": "CHEMBL1200987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eprosartan Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148616", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXABEPILONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148616, "molecule_chembl_id": "CHEMBL1201752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.71", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ixabepilone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148304", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148304, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152817", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152817, "molecule_chembl_id": "CHEMBL190266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ibuproxam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154026", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANACETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154026, "molecule_chembl_id": "CHEMBL1800807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Anacetrapib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154033", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFENOQUINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154033, "molecule_chembl_id": "CHEMBL298470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.50", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tafenoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154036", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMAVELOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154036, "molecule_chembl_id": "CHEMBL4303525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.72", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Omaveloxolone (RTA-408)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153945", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153945, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149444", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYLIMIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149444, "molecule_chembl_id": "CHEMBL14192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.20", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Benzylimidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154553", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154553, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.76", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149382", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENIPOSIDIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149382, "molecule_chembl_id": "CHEMBL460031", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.34", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Geniposidic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153041", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153041, "molecule_chembl_id": "CHEMBL270948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.48", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP-376395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154499", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VALSPODAR", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154499, "molecule_chembl_id": "CHEMBL1086218", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1214.65", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Valspodar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13380.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154440", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154440, "molecule_chembl_id": "CHEMBL365442", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "567.80", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NELFINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149599", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149599, "molecule_chembl_id": "CHEMBL4588937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Meldonium hydrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148891", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148891, "molecule_chembl_id": "CHEMBL3633893", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.39", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-O-9311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149947", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149947, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153050", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153050, "molecule_chembl_id": "CHEMBL1200728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "95.53", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149799", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK2256294", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149799, "molecule_chembl_id": "CHEMBL3818875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2256294A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149802", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOSTIGMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149802, "molecule_chembl_id": "CHEMBL1115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.22", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDOSTIGMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154498", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154498, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18620.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149997", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUROSEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149997, "molecule_chembl_id": "CHEMBL35", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.75", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FUROSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153047", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIOXSALEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153047, "molecule_chembl_id": "CHEMBL1475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153222", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-03758309", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153222, "molecule_chembl_id": "CHEMBL3128043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.64", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-3758309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149731", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+/-)NICOTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149731, "molecule_chembl_id": "CHEMBL440464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nicotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148719", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148719, "molecule_chembl_id": "CHEMBL1357114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORETHINDRONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148720", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148720, "molecule_chembl_id": "CHEMBL305195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 25-6981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149723", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL-L-LEUCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149723, "molecule_chembl_id": "CHEMBL56021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYL-L-LEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149889", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149889, "molecule_chembl_id": "CHEMBL1716983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enisamium-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149893", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149893, "molecule_chembl_id": "CHEMBL63064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DAA-1106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149904", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149904, "molecule_chembl_id": "CHEMBL1707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.51", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154406", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154406, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14830.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154410", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154410, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148513", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMIVAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148513, "molecule_chembl_id": "CHEMBL1229908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMIVAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148407", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILYBIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148407, "molecule_chembl_id": "CHEMBL431701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Silibinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152549", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152549, "molecule_chembl_id": "CHEMBL4303319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SNG-1153"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(C(F)(F)F)cc3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149548", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROXIDOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149548, "molecule_chembl_id": "CHEMBL2103827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.19", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Droxidopa (L-DOPS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148471", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148471, "molecule_chembl_id": "CHEMBL465477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dizocilpine-(-) maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148014", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOBARBITAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148014, "molecule_chembl_id": "CHEMBL448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pentobarbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152346", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152346, "molecule_chembl_id": "CHEMBL373937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.72", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4,5,6,7-Tetrabromobenzimidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(Br)c(Br)c2[nH]cnc2c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152853", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)PK-11195", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152853, "molecule_chembl_id": "CHEMBL416715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.87", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PK-11195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148364", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148364, "molecule_chembl_id": "CHEMBL2058156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.90", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-LPA5-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151862", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151862, "molecule_chembl_id": "CHEMBL1394088", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(D)-5-methylhydantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151863", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151863, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acitretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955748", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOLE-3-CARBINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955748, "molecule_chembl_id": "CHEMBL155625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Indole-3-carbinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829299", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCERANIB PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829299, "molecule_chembl_id": "CHEMBL2103833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.46", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOCERANIB (PHOSPHATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834103", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834103, "molecule_chembl_id": "CHEMBL4303263", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "CHLOROPHYLLIN (SODIUM COPPER SALT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833561", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833561, "molecule_chembl_id": "CHEMBL4059722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRAMADOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833565", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833565, "molecule_chembl_id": "CHEMBL4065484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.41", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EED226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833923", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833923, "molecule_chembl_id": "CHEMBL4303310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYL-2-BUTEN-1-YL)-2H-CHROMENE-3,4-DIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829384", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829384, "molecule_chembl_id": "CHEMBL1256838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.48", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-99194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828865", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828865, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluocinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833550", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENASIDENIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833550, "molecule_chembl_id": "CHEMBL3989908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.38", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENASIDENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833548", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUCATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833548, "molecule_chembl_id": "CHEMBL3989868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.53", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TUCATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834102", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-ACETYLMANNOSAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834102, "molecule_chembl_id": "CHEMBL1231391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.21", "alogp": "-3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ACETYLMANNOSAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955921", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENILSETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955921, "molecule_chembl_id": "CHEMBL2104853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenilsetam\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCNC1c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147542", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147542, "molecule_chembl_id": "CHEMBL2419490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.55", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIDAFENACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955733, "molecule_chembl_id": "CHEMBL53366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Imidafenacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956877", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESIPRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956877, "molecule_chembl_id": "CHEMBL72", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956879", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956879, "molecule_chembl_id": "CHEMBL1078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fluvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956881", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAMGO", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956881, "molecule_chembl_id": "CHEMBL38874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "-0.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DAMGO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962188", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-MERCAPTOBENZOTHIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962188, "molecule_chembl_id": "CHEMBL111654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.26", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzo[d]thiazole-2(3H)-thione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958458", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958458, "molecule_chembl_id": "CHEMBL1241028", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.93", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962053", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORHEXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962053, "molecule_chembl_id": "CHEMBL1484251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "578.38", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORHEXIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959240", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959240, "molecule_chembl_id": "CHEMBL4303343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.40", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Peficitinib (ASP015K; JNJ-54781532)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C2C[C@@H]3C[C@H]1C[C@](O)(C2)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960525", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960525, "molecule_chembl_id": "CHEMBL1622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.40", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960758", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960758, "molecule_chembl_id": "CHEMBL2182052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.50", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961146", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NRX195183", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961146, "molecule_chembl_id": "CHEMBL107430", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.87", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AGN 195183"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-42.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959815", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959815, "molecule_chembl_id": "CHEMBL3990456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.49", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-477736"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c(=O)[nH]ncc2c34)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956357", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956357, "molecule_chembl_id": "CHEMBL4065323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "634.74", "alogp": "5.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FIIN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc(CN2C(=O)N(c3cc(OC)cc(OC)c3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147184", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXRAZOXANE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147184, "molecule_chembl_id": "CHEMBL1200778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.73", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexrazoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147342", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZUFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147342, "molecule_chembl_id": "CHEMBL240163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.30", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PAZUFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828848", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828848, "molecule_chembl_id": "CHEMBL4303481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "926.11", "alogp": "0.78", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Nystatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04745", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154218", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.19", "bao_label": "organism-based format", "molecule_pref_name": "BRIVANIB ALANINATE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154218, "molecule_chembl_id": "CHEMBL270995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Brivanib alaninate (BMS-582664)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6500.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153872", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153872, "molecule_chembl_id": "CHEMBL4303571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.44", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetrindol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152907", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUBITECAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152907, "molecule_chembl_id": "CHEMBL77305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.36", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "rubitecan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153874", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153874, "molecule_chembl_id": "CHEMBL1623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.96", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MECLIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153999", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153999, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUPHENAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153032", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153032, "molecule_chembl_id": "CHEMBL1552551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.96", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148420", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-METHOXYCINNAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148420, "molecule_chembl_id": "CHEMBL95770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-Methoxycinnamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149568", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149568, "molecule_chembl_id": "CHEMBL97162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-239063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153045", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153045, "molecule_chembl_id": "CHEMBL4303413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.41", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salazodine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154487", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154487, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torkinib (PP242)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1630.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957056", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RGB-286638", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957056, "molecule_chembl_id": "CHEMBL3545083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.64", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RGB-286638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957058", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957058, "molecule_chembl_id": "CHEMBL3605057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.61", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRT67307"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957101", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957101, "molecule_chembl_id": "CHEMBL365442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "567.80", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NELFINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961703", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961703, "molecule_chembl_id": "CHEMBL478284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.97", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SX-011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154201", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.46", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154201, "molecule_chembl_id": "CHEMBL274619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "350.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149377", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149377, "molecule_chembl_id": "CHEMBL1399511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.90", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCSC[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149558", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149558, "molecule_chembl_id": "CHEMBL1230001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.38", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-1120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153033", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153033, "molecule_chembl_id": "CHEMBL2360047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tiquizium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N@+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148421", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148421, "molecule_chembl_id": "CHEMBL1421720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.37", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-383949"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccs1)Nc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961662", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961662, "molecule_chembl_id": "CHEMBL1235116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PhiKan-083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(CNC)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153973", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153973, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153225", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XANOMELINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153225, "molecule_chembl_id": "CHEMBL21536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.43", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XANOMELINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1nsnc1C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154164", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154164, "molecule_chembl_id": "CHEMBL570345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HC-056456"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccs1)c1no[n+]([O-])c1C(=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152912", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM OXYBATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152912, "molecule_chembl_id": "CHEMBL1200682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.09", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM OXYBATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCCO.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149379", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149379, "molecule_chembl_id": "CHEMBL3941724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.13", "alogp": "3.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KRCA-0008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149381", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149381, "molecule_chembl_id": "CHEMBL367788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.14", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Didox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150182", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARGYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150182, "molecule_chembl_id": "CHEMBL1200425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.69", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PARGYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150183", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150183, "molecule_chembl_id": "CHEMBL1200841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.78", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152916", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFODIZIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152916, "molecule_chembl_id": "CHEMBL2303613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.68", "alogp": "1.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefodizime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149786", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149786, "molecule_chembl_id": "CHEMBL4538684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DUVELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154148", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154148, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2603618"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154294", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.26", "bao_label": "organism-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154294, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "550.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150823", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPENTAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150823, "molecule_chembl_id": "CHEMBL441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.34", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thiopental"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150827", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABEXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150827, "molecule_chembl_id": "CHEMBL87563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GABEXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145627", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITROPTEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145627, "molecule_chembl_id": "CHEMBL481049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.20", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CITROPTEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2ccc(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153541", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COBIMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153541, "molecule_chembl_id": "CHEMBL2146883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.32", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cobimetinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153408", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153408, "molecule_chembl_id": "CHEMBL1325250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.93", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149055", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149055, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cefixime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153558", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIGATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153558, "molecule_chembl_id": "CHEMBL3545311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.11", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "brigatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150036", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELACEBEC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150036, "molecule_chembl_id": "CHEMBL3298910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.02", "alogp": "6.76", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Q-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150231", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNETANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150231, "molecule_chembl_id": "CHEMBL10188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Talnetant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150043", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150043, "molecule_chembl_id": "CHEMBL1522710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fumagillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150048", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150048, "molecule_chembl_id": "CHEMBL515916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.50", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANT-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154561", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154561, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fenretinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154161", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMETHYL PARAROSANILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154161, "molecule_chembl_id": "CHEMBL459265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.54", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GENTIAN VIOLET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147956", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147956, "molecule_chembl_id": "CHEMBL1316674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-36"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCCO)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149761", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149761, "molecule_chembl_id": "CHEMBL4303173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "835.09", "alogp": "2.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dirithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149770", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149770, "molecule_chembl_id": "CHEMBL1429218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pibenzimol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149577", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149577, "molecule_chembl_id": "CHEMBL193664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119400"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956780", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAFFEIC ACID PHENETHYL ESTER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956780, "molecule_chembl_id": "CHEMBL319244", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAFFEIC_acid PHENETHYL ESTER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148709", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148709, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "aminophenazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146152", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REVAPRAZAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146152, "molecule_chembl_id": "CHEMBL1257753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.91", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Revaprazan Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145511", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145511, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154241", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154241, "molecule_chembl_id": "CHEMBL20066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ER-50891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154259", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.89", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154259, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12760.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154159", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTENIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154159, "molecule_chembl_id": "CHEMBL36342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.84", "alogp": "9.63", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Octenidine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152834", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPIDACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152834, "molecule_chembl_id": "CHEMBL130880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.27", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipidacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3c1CCC3)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148335", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148335, "molecule_chembl_id": "CHEMBL1652609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "RIFAMPICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152362", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152362, "molecule_chembl_id": "CHEMBL176058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.48", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD005393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152475", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVIBACTAM SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152475, "molecule_chembl_id": "CHEMBL2107817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.23", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Avibactam (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147197", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICOTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147197, "molecule_chembl_id": "CHEMBL1257015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.42", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "picotamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961672", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUTAMOREN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961672, "molecule_chembl_id": "CHEMBL2105872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "624.78", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Ibutamoren (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957072", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDASANUTLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957072, "molecule_chembl_id": "CHEMBL2402737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "616.49", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "IDASANUTLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146310", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146310, "molecule_chembl_id": "CHEMBL140220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-64131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153546", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153546, "molecule_chembl_id": "CHEMBL493439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.57", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMETINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149060", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFATUTAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149060, "molecule_chembl_id": "CHEMBL3545280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.60", "alogp": "5.04", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Inolitazone (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153554", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANDUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153554, "molecule_chembl_id": "CHEMBL124660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tandutinib (MLN518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153566", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARANABANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153566, "molecule_chembl_id": "CHEMBL220360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.96", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TARANABANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149208", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTERMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149208, "molecule_chembl_id": "CHEMBL1200912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.70", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "phentermine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154168", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154168, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960491", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFAMANDOLE NAFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960491, "molecule_chembl_id": "CHEMBL1618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAMANDOLE NAFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5659", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147182", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147182, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Psoralen (Ficusin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146973", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146973, "molecule_chembl_id": "CHEMBL68381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.67", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FEXOFENADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151476", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORZOXAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151476, "molecule_chembl_id": "CHEMBL1371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.57", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORZOXAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147192", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147192, "molecule_chembl_id": "CHEMBL361501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.97", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ki16425"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147333", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147333, "molecule_chembl_id": "CHEMBL606201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.46", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JZL-195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151494", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151494, "molecule_chembl_id": "CHEMBL592712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.51", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-322351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958173", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958173, "molecule_chembl_id": "CHEMBL3765016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.49", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-311253-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCOCC1)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958175", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958175, "molecule_chembl_id": "CHEMBL1164316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.22", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119581"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=c1[nH]nc(-c2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957452", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957452, "molecule_chembl_id": "CHEMBL2021721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "756.97", "alogp": "6.34", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SSR240612"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@@H](C)CCC[C@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957464", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957464, "molecule_chembl_id": "CHEMBL1522313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.48", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 5959"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962200", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANPIRTOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962200, "molecule_chembl_id": "CHEMBL1316374", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.75", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anpirtoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(SC2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963647", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963647, "molecule_chembl_id": "CHEMBL247920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.56", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-309403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963465", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963465, "molecule_chembl_id": "CHEMBL2356801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.50", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimethindene-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959244", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959244, "molecule_chembl_id": "CHEMBL4303527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[S+]([O-])c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964046", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRABROMOBENZOTRIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964046, "molecule_chembl_id": "CHEMBL177820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.71", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4;5;6;7-tetrabromobenzotriazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(Br)c(Br)c2[nH]nnc2c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959733", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959733, "molecule_chembl_id": "CHEMBL3646118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.31", "alogp": "-0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Molidustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959735", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959735, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIMOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957608", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957608, "molecule_chembl_id": "CHEMBL3970532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG2833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963856", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963856, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate (STI571)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.325", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957611", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPATASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957611, "molecule_chembl_id": "CHEMBL2177390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.01", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "IPATASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962211", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LATREPIRDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962211, "molecule_chembl_id": "CHEMBL2105703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.37", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "latrepirdine; Dimebon dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957287", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIPONIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957287, "molecule_chembl_id": "CHEMBL2336071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "6.77", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Siponimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959621", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALINOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959621, "molecule_chembl_id": "CHEMBL152067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.50", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "talinolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959547", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENIDAP", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959547, "molecule_chembl_id": "CHEMBL1908355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.76", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tenidap"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1C(=O)/C(=C(\\O)c2cccs2)c2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959460", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959460, "molecule_chembl_id": "CHEMBL4303528", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "727.80", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RG7112 (RO5045337)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955656", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MATRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955656, "molecule_chembl_id": "CHEMBL204860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Matrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958677", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958677, "molecule_chembl_id": "CHEMBL1444844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.56", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEBEVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962014", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAZABEMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962014, "molecule_chembl_id": "CHEMBL2105029", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.10", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lazabemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCNC(=O)c1ccc(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962697", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUZINDOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962697, "molecule_chembl_id": "CHEMBL286615", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "luzindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959050", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959050, "molecule_chembl_id": "CHEMBL427947", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1255.44", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Actinomycin D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963660", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASARALDEHYDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963660, "molecule_chembl_id": "CHEMBL1164301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Asaraldehyde (Asaronaldehyde)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.465", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(OC)cc1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963488", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METYROSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963488, "molecule_chembl_id": "CHEMBL1200862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metirosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958092", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOXYL SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958092, "molecule_chembl_id": "CHEMBL1233636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.21", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Indoxyl Sulfate (potassium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)Oc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962074", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-715", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962074, "molecule_chembl_id": "CHEMBL363648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.52", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TAK-715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958547", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOCARLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958547, "molecule_chembl_id": "CHEMBL214920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.59", "alogp": "6.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TIOCARLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959074", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTOBARBITAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959074, "molecule_chembl_id": "CHEMBL448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pentobarbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957625", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957625, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962225", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962225, "molecule_chembl_id": "CHEMBL158897", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RHC-80267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.019", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959679", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARISOPRODOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959679, "molecule_chembl_id": "CHEMBL1233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARISOPRODOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)(COC(N)=O)COC(=O)NC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957501", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957501, "molecule_chembl_id": "CHEMBL98869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.84", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UAMC00039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957653", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04457845", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957653, "molecule_chembl_id": "CHEMBL1651534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.44", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962259", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIRUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962259, "molecule_chembl_id": "CHEMBL1200981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Epirubicin Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.784", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958169", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958169, "molecule_chembl_id": "CHEMBL1411769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.72", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Chlorophenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962770", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962770, "molecule_chembl_id": "CHEMBL293391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methyl-1H-imidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957953", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957953, "molecule_chembl_id": "CHEMBL4068067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.25", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1c[nH]c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963084", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITECAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963084, "molecule_chembl_id": "CHEMBL167055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitecapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.818", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957971", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957971, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUXIBUZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963247, "molecule_chembl_id": "CHEMBL1414320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suxibuzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958260", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958260, "molecule_chembl_id": "CHEMBL4562039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.17", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV666599"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1nc(/C=C/c2ccc(Br)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962213", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962213, "molecule_chembl_id": "CHEMBL337301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.44", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-806 (BMS 378806)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957919", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957919, "molecule_chembl_id": "CHEMBL2169920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "577.55", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963262", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIMORAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963262, "molecule_chembl_id": "CHEMBL435966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nimorazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cncn1CCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957836", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957836, "molecule_chembl_id": "CHEMBL28324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "721.86", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KN-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962078", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962078, "molecule_chembl_id": "CHEMBL33240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.28", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LTA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccccc1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962107", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CTS-1027", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962107, "molecule_chembl_id": "CHEMBL440498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.89", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CTS-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963698", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEDIZOLID PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963698, "molecule_chembl_id": "CHEMBL2105669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.32", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tedizolid (phosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959096", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959096, "molecule_chembl_id": "CHEMBL4289507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.29", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OG-L002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.863", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959173", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SECLAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959173, "molecule_chembl_id": "CHEMBL2105593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.63", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "seclazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cc(Cl)ccc2OC2CCON12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963882", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PD-0166285", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963882, "molecule_chembl_id": "CHEMBL3545196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "585.36", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "PD-166285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959187", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959187, "molecule_chembl_id": "CHEMBL300117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levopropoxyphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959111", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIRAGLUTIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959111, "molecule_chembl_id": "CHEMBL4524066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "3753.28", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Liraglutide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964275", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.80", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964275, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "160.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959669", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALNIFLUMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959669, "molecule_chembl_id": "CHEMBL1081506", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.34", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "talniflumate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.374", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962282", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962282, "molecule_chembl_id": "CHEMBL4303594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.39", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-409"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958889", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958889, "molecule_chembl_id": "CHEMBL106322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "130.22", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminomethyltransferase"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.648", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN=C(N)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962641", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962641, "molecule_chembl_id": "CHEMBL106092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "579.66", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SDZ-NKT-343"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958130", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958130, "molecule_chembl_id": "CHEMBL92816", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.36", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-50.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(-c2nc3ccccc3s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963374", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963374, "molecule_chembl_id": "CHEMBL441095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.53", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-142633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.245", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153202", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2811376", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153202, "molecule_chembl_id": "CHEMBL2333941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2811376"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153160", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTRIMAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153160, "molecule_chembl_id": "CHEMBL2107430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.38", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Flutrimazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153162", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENSERAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153162, "molecule_chembl_id": "CHEMBL1096979", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153107", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSAPREPITANT DIMEGLUMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153107, "molecule_chembl_id": "CHEMBL1201782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1004.84", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fosaprepitant dimeglumine salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149646", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-242235", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149646, "molecule_chembl_id": "CHEMBL95692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 242235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154153", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154153, "molecule_chembl_id": "CHEMBL3410535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ubiquitin Isopeptidase Inhibitor I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C\\c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152202", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152202, "molecule_chembl_id": "CHEMBL4303200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.61", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Rifamycin SV sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152045", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAR-407899", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152045, "molecule_chembl_id": "CHEMBL1667969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAR407899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]ccc2cc(OC3CCNCC3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147715", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-690693", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147715, "molecule_chembl_id": "CHEMBL494089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK690693"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152259", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-4987655", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152259, "molecule_chembl_id": "CHEMBL1614766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.29", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RO4987655"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147553", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147553, "molecule_chembl_id": "CHEMBL4303495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.61", "alogp": "6.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Gue 1654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc3c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149337", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149337, "molecule_chembl_id": "CHEMBL3222141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.36", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AK-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153211", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153211, "molecule_chembl_id": "CHEMBL1628668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.63", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "W-54011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957922", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957922, "molecule_chembl_id": "CHEMBL176544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW 441756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(/C=C2\\C(=O)Nc3cccnc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957964", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957964, "molecule_chembl_id": "CHEMBL299784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.66", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120339"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2S(=O)(=O)N1CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958284", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958284, "molecule_chembl_id": "CHEMBL1400008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.79", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-115431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960692", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAPABUCASIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960692, "molecule_chembl_id": "CHEMBL64130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Napabucasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955922", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FADROZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955922, "molecule_chembl_id": "CHEMBL9298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fadrozole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147548", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIRBANIBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147548, "molecule_chembl_id": "CHEMBL571546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "1; KX2-391; KX-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955970", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEMIROLAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955970, "molecule_chembl_id": "CHEMBL1201198", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.22", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pemirolast\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955876", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955876, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Mubritinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956898", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMCINONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956898, "molecule_chembl_id": "CHEMBL1200732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152555", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152555, "molecule_chembl_id": "CHEMBL4303286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2886721"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@@H]2CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147845", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTOPORPHYRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147845, "molecule_chembl_id": "CHEMBL1325592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.67", "alogp": "7.50", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PROTOPORPHYRIN IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148347", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENTIAZAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148347, "molecule_chembl_id": "CHEMBL589092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fentiazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152852", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152852, "molecule_chembl_id": "CHEMBL493076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.37", "alogp": "3.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151785", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NYSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151785, "molecule_chembl_id": "CHEMBL450895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "926.11", "alogp": "0.94", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Nystatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963091", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963091, "molecule_chembl_id": "CHEMBL2030550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.31", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DG-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(/C=C(\\C#N)c3ccccc3Br)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962839", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962839, "molecule_chembl_id": "CHEMBL4303670", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.57", "alogp": "6.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGN 194310"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)O)cc4)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962679", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962679, "molecule_chembl_id": "CHEMBL1233638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.09", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-iodo-L-phenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1ccc(I)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958079", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958079, "molecule_chembl_id": "CHEMBL268490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "<i>N</i>-&alpha;-methylhistamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958081", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958081, "molecule_chembl_id": "CHEMBL32", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962849", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962849, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARIPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959349", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959349, "molecule_chembl_id": "CHEMBL1367006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levomequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959358", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REV-5901", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959358, "molecule_chembl_id": "CHEMBL8747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.45", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "REV-5901 / L-655;238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964045", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEZACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964045, "molecule_chembl_id": "CHEMBL3544914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.50", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VX-661"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150599", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMACEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150599, "molecule_chembl_id": "CHEMBL25843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Remacemide hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150601", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VX-702", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150601, "molecule_chembl_id": "CHEMBL1090090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146101", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146101, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RILPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146226", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146226, "molecule_chembl_id": "CHEMBL489157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.76", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CKI-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146228", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146228, "molecule_chembl_id": "CHEMBL1698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUPROPION"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146233", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146233, "molecule_chembl_id": "CHEMBL244859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.29", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2/SC(=O)NC2=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150619", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORBINIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150619, "molecule_chembl_id": "CHEMBL266497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "sorbinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145608", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145608, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958146", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEBRISOQUIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958146, "molecule_chembl_id": "CHEMBL169901", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "175.24", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEBRISOQUIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N1CCc2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962748", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICHOSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962748, "molecule_chembl_id": "CHEMBL99", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Trichostatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C/C(=O)NO)=C\\[C@@H](C)C(=O)c1ccc(N(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958155", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZYLSULFAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958155, "molecule_chembl_id": "CHEMBL2104196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.33", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYLSULFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958156", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958156, "molecule_chembl_id": "CHEMBL604677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H2L 5765834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958159", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOTHIAZYL DISULFIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958159, "molecule_chembl_id": "CHEMBL508112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.50", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZOTHIAZYL DISULFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SSc3nc4ccccc4s3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962760", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE HEMISULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962760, "molecule_chembl_id": "CHEMBL465704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.58", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROFLAVINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962766", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962766, "molecule_chembl_id": "CHEMBL1604848", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.49", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-63808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(/C=C(\\C#N)c3nc4ccccc4s3)c(Oc3ccc(F)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962655", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SORBITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962655, "molecule_chembl_id": "CHEMBL1682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-3.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MANNITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958059", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958059, "molecule_chembl_id": "CHEMBL364869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.26", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indane-5-sulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc2c(c1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957426", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957426, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIRABEGRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962040", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPODATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962040, "molecule_chembl_id": "CHEMBL1201033", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "619.94", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "iopodic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.429", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958203", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958203, "molecule_chembl_id": "CHEMBL2170241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.17", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Aminobenzoic_acid hydrazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962705", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962705, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958075", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958075, "molecule_chembl_id": "CHEMBL2178657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.43", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3c(c2)OCCO3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958247", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOLE-2-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958247, "molecule_chembl_id": "CHEMBL278390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "161.16", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDOLE-2-CARBOXYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959353", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959353, "molecule_chembl_id": "CHEMBL216097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.30", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-44408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1c2ccccc2CN1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962306", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962306, "molecule_chembl_id": "CHEMBL2311170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPC-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962313", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962313, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Reparixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957717", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORANTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957717, "molecule_chembl_id": "CHEMBL274654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TSU-68 (SU6668, Orantinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959805", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KIFUNENSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959805, "molecule_chembl_id": "CHEMBL1233851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.19", "alogp": "-4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kifunensine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957735", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957735, "molecule_chembl_id": "CHEMBL4068896", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.39", "alogp": "6.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BLU9931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961995", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961995, "molecule_chembl_id": "CHEMBL2409106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.32", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-297"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959812", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINAGOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959812, "molecule_chembl_id": "CHEMBL290962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.57", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinagolide (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958872", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOBETASOL PROPIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958872, "molecule_chembl_id": "CHEMBL1159650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.98", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clobetasol-propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964121", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964121, "molecule_chembl_id": "CHEMBL229264", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.72", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-564929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963375", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963375, "molecule_chembl_id": "CHEMBL1255945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.09", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(ethylsulfanyl)methanimidamide hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958914", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DISOPYRAMIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958914, "molecule_chembl_id": "CHEMBL1201020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISOPYRAMIDE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962462", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962462, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958138", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958138, "molecule_chembl_id": "CHEMBL406861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.73", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD082508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963026", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DORAMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963026, "molecule_chembl_id": "CHEMBL103667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.99", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BIRB 796 (Doramapimod)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958141", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958141, "molecule_chembl_id": "CHEMBL1444186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.35", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-296510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1SC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962870", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962870, "molecule_chembl_id": "CHEMBL1765740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.60", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2334470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.943", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958713", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958713, "molecule_chembl_id": "CHEMBL1778663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.47", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-A-2317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(C)c(C#N)c(N[C@@H](C)CCCC(C)(C)O)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958277", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958277, "molecule_chembl_id": "CHEMBL1387826", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.55", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMN082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962879", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALOXONE BENZOYLHYDRAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962879, "molecule_chembl_id": "CHEMBL1256836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.52", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naloxone-benzoylhydrazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N/NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959033", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NISIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959033, "molecule_chembl_id": "CHEMBL526744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "3353.11", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "nisin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CS[C@@H](C)[C@H]2NC(=O)C(=C)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@H](CCCNN)NC(=O)[C@@H]4CS[C@@H](C)[C@@H](NC(=O)[C@@H]5CSC[C@@H](NC(=O)/C(=C\\C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N3)[C@H](C)SC[C@H](NC2=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962882", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMTOLMETIN GUACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962882, "molecule_chembl_id": "CHEMBL1766570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.47", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amtolmetin-guacil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957491", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANAPROGET", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957491, "molecule_chembl_id": "CHEMBL539163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANAPROGET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962883", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOXITIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962883, "molecule_chembl_id": "CHEMBL1200530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.44", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFOXITIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958742", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958742, "molecule_chembl_id": "CHEMBL1405034", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UB-165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C2=CCC[C@H]3CC[C@@H]2N3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963222", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963222, "molecule_chembl_id": "CHEMBL224120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.45", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ademetionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964129", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METRIZOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964129, "molecule_chembl_id": "CHEMBL1736", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "627.94", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Metrizoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.928", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153954", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153954, "molecule_chembl_id": "CHEMBL2172308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Belizatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835776", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835776, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "rifaximin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835076", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANITIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835076, "molecule_chembl_id": "CHEMBL1790041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ranitidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830284", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORICIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830284, "molecule_chembl_id": "CHEMBL1200334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.99", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MORACIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830767", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRETAZENIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830767, "molecule_chembl_id": "CHEMBL366947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.29", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRETAZENIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835345", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINEZOLID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835345, "molecule_chembl_id": "CHEMBL126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.35", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Linezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828973", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828973, "molecule_chembl_id": "CHEMBL4303717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.29", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbazochrome sodium sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2143", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2=CC(=O)/C(=N/NC(N)=O)C=C2CC1S(=O)(=O)O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835272", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835272, "molecule_chembl_id": "CHEMBL1318939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.85", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etofylline-clofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835632", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERAVACYCLINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835632, "molecule_chembl_id": "CHEMBL2219414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.49", "alogp": "0.29", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Eravacycline (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2526", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830507", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830507, "molecule_chembl_id": "CHEMBL441472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.90", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCTC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835744", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPANTHELINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835744, "molecule_chembl_id": "CHEMBL1180725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.50", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propantheline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835814", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VISMODEGIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835814, "molecule_chembl_id": "CHEMBL473417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.31", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vismodegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828977", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOGLIBOSE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828977, "molecule_chembl_id": "CHEMBL476960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "-4.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Voglibose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829043", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULBACTAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829043, "molecule_chembl_id": "CHEMBL403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.25", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830667", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830667, "molecule_chembl_id": "CHEMBL149518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.63", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JLK-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1oc(=O)c2cc(N)ccc2c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830826", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URB-597", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830826, "molecule_chembl_id": "CHEMBL184238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.41", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "URB597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835531", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXFENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835531, "molecule_chembl_id": "CHEMBL42442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "oxfendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830135", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOXITIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830135, "molecule_chembl_id": "CHEMBL1200530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.44", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFOXITIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829048", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829048, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829346", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOSUFLOXACIN TOSYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829346, "molecule_chembl_id": "CHEMBL104270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.55", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOSUFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829056", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829056, "molecule_chembl_id": "CHEMBL1692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.88", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829059", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICALUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829059, "molecule_chembl_id": "CHEMBL409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BICALUTAMIDE (CASODEX)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829361", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GR-127935", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829361, "molecule_chembl_id": "CHEMBL15928", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.60", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GR-127935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834998", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834998, "molecule_chembl_id": "CHEMBL155886", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.55", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ceramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1025", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835088", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPINIROLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835088, "molecule_chembl_id": "CHEMBL589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropinirole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834724", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "17.92 \u00b1 0.4", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.75", "bao_label": "organism-based format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834724, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOTEPREDNOL ETABONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17920.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835561", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILOCARPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835561, "molecule_chembl_id": "CHEMBL550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.26", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pilocarpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834753", "_score": 6.416262, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "3.67 \u00b1 3.21", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834753, "molecule_chembl_id": "CHEMBL559569", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "418.41", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-612111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3670.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835090", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXARSONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835090, "molecule_chembl_id": "CHEMBL1321154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "roxarsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1196", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835857", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835857, "molecule_chembl_id": "CHEMBL415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835753", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835753, "molecule_chembl_id": "CHEMBL488093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pyrithioxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2567", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835755", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835755, "molecule_chembl_id": "CHEMBL1294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830630", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830630, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANISOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833841", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPIVEFRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833841, "molecule_chembl_id": "CHEMBL1201262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.44", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPIVEFRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835103", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835103, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Stavudine (d4T)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0534", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829368", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829368, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERPHENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833785", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833785, "molecule_chembl_id": "CHEMBL13786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.67", "alogp": "-0.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MET-ENKEPHALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829237", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829237, "molecule_chembl_id": "CHEMBL1559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.15", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829240", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829240, "molecule_chembl_id": "CHEMBL1677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TACRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833679", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDAZOXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833679, "molecule_chembl_id": "CHEMBL543467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDAZOXAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830293", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830293, "molecule_chembl_id": "CHEMBL88612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835852", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835852, "molecule_chembl_id": "CHEMBL1316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.72", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "carprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07462", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835840", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZATADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835840, "molecule_chembl_id": "CHEMBL946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.41", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azatadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835862", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835862, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "closantel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835641", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVANS BLUE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835641, "molecule_chembl_id": "CHEMBL1200712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "960.82", "alogp": "6.67", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "evans-blue"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2486", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835768", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.97672611,0.949489959)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835768, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir (GS-5734)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830517", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830517, "molecule_chembl_id": "CHEMBL169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "40"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835835", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANASTROZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835835, "molecule_chembl_id": "CHEMBL1399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Anastrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2057", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835847", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETHANECHOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835847, "molecule_chembl_id": "CHEMBL1482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.22", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bethanechol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C[N+](C)(C)C)OC(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830645", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830645, "molecule_chembl_id": "CHEMBL149201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-16F"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830646", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830646, "molecule_chembl_id": "CHEMBL149394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FMOC-L-LEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830653", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-MEXILETINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830653, "molecule_chembl_id": "CHEMBL147507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEXILETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OC[C@@H](C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830820", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XANTHONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830820, "molecule_chembl_id": "CHEMBL186784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.21", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XANTHONE (GENICIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829254", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMAQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829254, "molecule_chembl_id": "CHEMBL43128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.34", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMAQUINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830392", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830392, "molecule_chembl_id": "CHEMBL318457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.85", "alogp": "8.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-4064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835699", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPERIDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835699, "molecule_chembl_id": "CHEMBL297302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.45", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835701", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZNIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835701, "molecule_chembl_id": "CHEMBL110", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.25", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BZN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09787", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835757", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIZARTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835757, "molecule_chembl_id": "CHEMBL576982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.68", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Quizartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1028", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833996", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICARTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833996, "molecule_chembl_id": "CHEMBL100424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.38", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PICARTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=C(\\S)C1(c2ccccn2)CCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829297", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMAXANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829297, "molecule_chembl_id": "CHEMBL276711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMAXANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833581", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833581, "molecule_chembl_id": "CHEMBL4116008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CERDULATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829405", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENADIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829405, "molecule_chembl_id": "CHEMBL590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.18", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MENADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829415", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829415, "molecule_chembl_id": "CHEMBL275854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPHA-METHYLSEROTONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829416", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829416, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834123", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAROZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834123, "molecule_chembl_id": "CHEMBL459505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.52", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALAROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834118", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834118, "molecule_chembl_id": "CHEMBL4303482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1440.59", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BLEOMYCETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)NC(C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)[C@@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829431", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFECOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829431, "molecule_chembl_id": "CHEMBL122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROFECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829425", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAPROXIRAL SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829425, "molecule_chembl_id": "CHEMBL2107744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFAPROXIRAL SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828842", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MODAFINIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828842, "molecule_chembl_id": "CHEMBL1373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Modafinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02223", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833902", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833902, "molecule_chembl_id": "CHEMBL3182051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.09", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD318088"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC(O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834001", "_score": 6.416262, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLINE ALFOSCERATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834001, "molecule_chembl_id": "CHEMBL1567463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.22", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SN-GLYCERO-3-PHOSPHOCHOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828838", "_score": 6.416262, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAPRINAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828838, "molecule_chembl_id": "CHEMBL28079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.28", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaprinast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838759", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE GOES DOWN TO 75% MAYBE PARTIAL ANTAGONIST", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.17", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838759, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Compound 10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6760.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831812", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831812, "molecule_chembl_id": "CHEMBL597997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.52", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-2894"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838762", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838762, "molecule_chembl_id": "CHEMBL4303786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.86", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Compound 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "239.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831814", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831814, "molecule_chembl_id": "CHEMBL590022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.29", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2ccc(-c3ccc(F)cc3)o2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838690", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838690, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "261.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831820", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENTIAZAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831820, "molecule_chembl_id": "CHEMBL589092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENTIAZAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838691", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838691, "molecule_chembl_id": "CHEMBL4128763", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "571.48", "alogp": "7.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AZ3451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.99", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831746", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831746, "molecule_chembl_id": "CHEMBL575239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.20", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-ACETYL-4-METHYLPIPERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832542", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXATECAN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832542, "molecule_chembl_id": "CHEMBL3989759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.59", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EXATECAN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832644", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHYLDIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832644, "molecule_chembl_id": "CHEMBL1722501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHYLDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)C=CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836191", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMONOMETHOXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836191, "molecule_chembl_id": "CHEMBL462990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfamonomethoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831373", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831373, "molecule_chembl_id": "CHEMBL3216524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.44", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CUTAMESINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831374", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831374, "molecule_chembl_id": "CHEMBL409038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.76", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIM-1-INHIBITOR-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836248", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836248, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Flurizan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836253", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMOCAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836253, "molecule_chembl_id": "CHEMBL1407844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fomocaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836254", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSAMPRENAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836254, "molecule_chembl_id": "CHEMBL1664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.62", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "fosamprenavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836356", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.363585042,0.218131825)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836356, "molecule_chembl_id": "CHEMBL1201081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.53", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylprednisolone-sodium-succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836263", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIPIZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836263, "molecule_chembl_id": "CHEMBL1073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glipizide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0999", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831396", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPYRIFOS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831396, "molecule_chembl_id": "CHEMBL463210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.59", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORPYRIFOS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836067", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LATANOPROST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836067, "molecule_chembl_id": "CHEMBL1051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.60", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Latanoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04489", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831225", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDEBENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831225, "molecule_chembl_id": "CHEMBL252556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idebenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831902", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENADIONE SODIUM BISULPHITE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831902, "molecule_chembl_id": "CHEMBL2358118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.24", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MENADIONE-BISULFITE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836508", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILTEFOSINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836508, "molecule_chembl_id": "CHEMBL125", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.58", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "miltefosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1709", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831321", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOXALINE1", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831321, "molecule_chembl_id": "CHEMBL259389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.19", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CDK1-5-INHIBITOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nc3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836193", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUAMINOHEPTANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836193, "molecule_chembl_id": "CHEMBL123693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "115.22", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tuaminoheptane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(C)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828012", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828012, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Primidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831324", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KRN-633", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831324, "molecule_chembl_id": "CHEMBL406381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KRN 633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831330", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FALNIDAMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831330, "molecule_chembl_id": "CHEMBL258940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.85", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BIBX-1382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829452", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALIPEXOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829452, "molecule_chembl_id": "CHEMBL1504869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALIPEXOLE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2nc(N)sc2CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829454", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRAZINAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829454, "molecule_chembl_id": "CHEMBL614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRAZINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834454", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRANSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834454, "molecule_chembl_id": "CHEMBL4297188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.53", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MIRANSERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835193", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENSERAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835193, "molecule_chembl_id": "CHEMBL1096979", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "benserazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827893", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITOPRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827893, "molecule_chembl_id": "CHEMBL2107457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.44", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Itopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836204", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANOPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836204, "molecule_chembl_id": "CHEMBL258734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "731.84", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Danoprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1271", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833272", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833272, "molecule_chembl_id": "CHEMBL3187229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.60", "alogp": "6.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NORETHISTERONE ENANTHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833276", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833276, "molecule_chembl_id": "CHEMBL3187944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINNAMALDEHYDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CC=Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830384", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830384, "molecule_chembl_id": "CHEMBL319136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.88", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-91149"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835011", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMORAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835011, "molecule_chembl_id": "CHEMBL435966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nimorazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cncn1CCN1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833617", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833617, "molecule_chembl_id": "CHEMBL99377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.31", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-M-PDOT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC1CCc2cccc(OC)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834175", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834175, "molecule_chembl_id": "CHEMBL4212818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.83", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DS2-(806622)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833968", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833968, "molecule_chembl_id": "CHEMBL3929074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.46", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RBC8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829478", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829478, "molecule_chembl_id": "CHEMBL1200798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.33", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833797", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833797, "molecule_chembl_id": "CHEMBL3927655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BQU57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2c1C(c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829273", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829273, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828925", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASUDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828925, "molecule_chembl_id": "CHEMBL541388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.84", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fasudil Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2265", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830060", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830060, "molecule_chembl_id": "CHEMBL303516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.13", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-161503"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836194", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSODIOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836194, "molecule_chembl_id": "CHEMBL1551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ursodiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2784", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832719", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832719, "molecule_chembl_id": "CHEMBL1870764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.16", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRT0044876"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828413", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIOXSALEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828413, "molecule_chembl_id": "CHEMBL1475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trioxsalen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03124", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833116", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833116, "molecule_chembl_id": "CHEMBL2311170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPC-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833124", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833124, "molecule_chembl_id": "CHEMBL2323231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.60", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IWP L6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccccc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828265", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828265, "molecule_chembl_id": "CHEMBL1201138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Folinic acid calcium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1347", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836220", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.139144101,0.129650293)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFONIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836220, "molecule_chembl_id": "CHEMBL2074922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.67", "alogp": "7.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Efonidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836226", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMPEDOIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836226, "molecule_chembl_id": "CHEMBL3545313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETC-1002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1415", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831355", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASIATIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831355, "molecule_chembl_id": "CHEMBL404313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.71", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ASIATIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831358", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BELINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831358, "molecule_chembl_id": "CHEMBL408513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.35", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BELINOSTAT (PXD101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831361", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831361, "molecule_chembl_id": "CHEMBL401570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.43", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-525334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831781", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRAMUSTINE PHOSPHATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831781, "molecule_chembl_id": "CHEMBL1200721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.35", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ESTRAMUSTINE PHOSPHATE.NA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836561", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.400063906,0.083550613)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACRITINIB", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836561, "molecule_chembl_id": "CHEMBL2035187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pacritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2418", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831934", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831934, "molecule_chembl_id": "CHEMBL245839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.83", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RHODAMINE-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827233", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CYCLOSPORINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827233, "molecule_chembl_id": "CHEMBL160", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cyclosporine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827234", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827234, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Digitoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836568", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.236316448,0.069591595)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836568, "molecule_chembl_id": "CHEMBL1323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.67", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Darunavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827902", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOTHIEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827902, "molecule_chembl_id": "CHEMBL1711280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.91", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOSULEPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827727", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLOMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827727, "molecule_chembl_id": "CHEMBL1256400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.84", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Xylometazoline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827913", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETIRIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827913, "molecule_chembl_id": "CHEMBL1607273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cetirizine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827826", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEZAFIBRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827826, "molecule_chembl_id": "CHEMBL264374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.83", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bezafibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6516", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832444", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOTHIEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832444, "molecule_chembl_id": "CHEMBL1711280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.91", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOSULEPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833091", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833091, "molecule_chembl_id": "CHEMBL2179387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-1(PF-6405761)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832993", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVLOFEXIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832993, "molecule_chembl_id": "CHEMBL2107417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOFEXIDINE  HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833189", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833189, "molecule_chembl_id": "CHEMBL2426364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.73", "alogp": "4.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833202", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833202, "molecule_chembl_id": "CHEMBL2447914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "7.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828505", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAXOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828505, "molecule_chembl_id": "CHEMBL1691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betaxolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6286", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833218", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAVOGLURANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833218, "molecule_chembl_id": "CHEMBL3087515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MAVOGLURANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833226", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833226, "molecule_chembl_id": "CHEMBL3105156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831828", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831828, "molecule_chembl_id": "CHEMBL592652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-0660"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831829", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831829, "molecule_chembl_id": "CHEMBL598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.79", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK3787"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831831", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831831, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PELITINIB (EKB-569)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831833", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831833, "molecule_chembl_id": "CHEMBL608847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRTAZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831836", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TODRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831836, "molecule_chembl_id": "CHEMBL1318529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.70", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TODRALAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1nncc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831404", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THALICARPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831404, "molecule_chembl_id": "CHEMBL507100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "696.84", "alogp": "7.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THALIBLASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836278", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYCANTHONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836278, "molecule_chembl_id": "CHEMBL22077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.49", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hycanthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04803", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836279", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836279, "molecule_chembl_id": "CHEMBL1091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hydrocortisone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836280", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYPROGESTERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836280, "molecule_chembl_id": "CHEMBL1062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "hydroxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0576", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836308", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVOSIDENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836308, "molecule_chembl_id": "CHEMBL3989958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.97", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivosidenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2722", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833180", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833180, "molecule_chembl_id": "CHEMBL2408045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD8931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828479", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPROLIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828479, "molecule_chembl_id": "CHEMBL1200450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Triprolidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8569", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831839", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPENTOFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831839, "molecule_chembl_id": "CHEMBL1079905", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPENTOFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831447", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831447, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LACIDIPINE (LACIPIL, MOTENS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831462", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PITOLISANT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831462, "molecule_chembl_id": "CHEMBL4164059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.32", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BF2.649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832004", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832004, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIMERCAPTOSUCCINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827301", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEQUITAZINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827301, "molecule_chembl_id": "CHEMBL73451", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.76", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831465", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMYGDALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831465, "molecule_chembl_id": "CHEMBL461727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.43", "alogp": "-3.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMYGDALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838958", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838958, "molecule_chembl_id": "CHEMBL4109308", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "433.90", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.997", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827310", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROSCILLARIDIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827310, "molecule_chembl_id": "CHEMBL600325", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "530.66", "alogp": "3.01", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Proscillaridin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.54", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827315", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIORIDAZINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827315, "molecule_chembl_id": "CHEMBL479", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "370.59", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thioridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838966", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838966, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIMOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.13", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832020", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPECURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832020, "molecule_chembl_id": "CHEMBL1200722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "762.71", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIPECURONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836345", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836345, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mifepristone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827208", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.49", "bao_label": "organism-based format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827208, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Osimertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3260.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838720", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "7.10", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838720, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.43", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "2.29", "sei": "25.21", "bei": "22.20", "le": "0.44"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831916", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOXIQUINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831916, "molecule_chembl_id": "CHEMBL1170610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOXIQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cccc2cccnc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827214", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.69", "bao_label": "organism-based format", "molecule_pref_name": "PROSCILLARIDIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827214, "molecule_chembl_id": "CHEMBL600325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.66", "alogp": "3.01", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Proscillaridin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2040.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831779", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CONIVAPTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831779, "molecule_chembl_id": "CHEMBL1201108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.05", "alogp": "6.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CONIVAPTAN HCL (VAPRISOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838728", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M4", "pchembl_value": "5.24", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303776", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1821", "activity_id": 18838728, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5754.4", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.43", "sei": "18.61", "bei": "16.38", "le": "0.33"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828293", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828293, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(D-) Norgestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1377", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833110", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833110, "molecule_chembl_id": "CHEMBL260117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1292.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MICAFUNGIN (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)C([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833010", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIOCIGUAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833010, "molecule_chembl_id": "CHEMBL2107834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIOCIGUAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833012", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAMORELIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833012, "molecule_chembl_id": "CHEMBL2110579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.72", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ANAMORELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833170", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINERIXIBAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833170, "molecule_chembl_id": "CHEMBL2387408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "IINERIXIBAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833171", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833171, "molecule_chembl_id": "CHEMBL2391504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPAUTIN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833173", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-960", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833173, "molecule_chembl_id": "CHEMBL2392545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.61", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828498", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROPERIDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828498, "molecule_chembl_id": "CHEMBL1108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.44", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Droperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6144", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829387", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829387, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "NELFINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834089", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834089, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834091", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834091, "molecule_chembl_id": "CHEMBL3039335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ESTRADIOL CYPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2OC(=O)CCC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGS-15943", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829394, "molecule_chembl_id": "CHEMBL16687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.69", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS-15943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836112", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHICILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836112, "molecule_chembl_id": "CHEMBL575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.42", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835003", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835003, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpropamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830498", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "O-DEMETHYLATED ADAPALENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830498, "molecule_chembl_id": "CHEMBL1180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD-437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830500", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IB-MECA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830500, "molecule_chembl_id": "CHEMBL119709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.29", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835091", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835091, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rufinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1638", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828576", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOXURIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828576, "molecule_chembl_id": "CHEMBL917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Floxuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830305", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830305, "molecule_chembl_id": "CHEMBL88272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.96", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-17053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833283", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILARALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833283, "molecule_chembl_id": "CHEMBL3218575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.53", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL147 ANALOGUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835012", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NINTEDANIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835012, "molecule_chembl_id": "CHEMBL502835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.64", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nintedanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830511", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830511, "molecule_chembl_id": "CHEMBL122413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.75", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-366791"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835218", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835218, "molecule_chembl_id": "CHEMBL6466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Coumarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2302", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830776", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830776, "molecule_chembl_id": "CHEMBL177880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.38", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835482", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPIRAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835482, "molecule_chembl_id": "CHEMBL1201204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.65", "alogp": "0.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefpiramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835616", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(D)-SERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835616, "molecule_chembl_id": "CHEMBL285123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.09", "alogp": "-1.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-Serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1472", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CO)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829476", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829476, "molecule_chembl_id": "CHEMBL1200950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.36", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIDINIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831161", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACEDINALINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831161, "molecule_chembl_id": "CHEMBL235191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CI994 (TACEDINALINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831165", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831165, "molecule_chembl_id": "CHEMBL237111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.73", "alogp": "6.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AKBA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836044", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRELAGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836044, "molecule_chembl_id": "CHEMBL1650443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.39", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "trelagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836050", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRILOSTANE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836050, "molecule_chembl_id": "CHEMBL1200907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trilostane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831190", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPSAZEPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831190, "molecule_chembl_id": "CHEMBL391997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.91", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPSAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831099", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831099, "molecule_chembl_id": "CHEMBL389946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.60", "alogp": "3.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-2314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(=O)O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833518", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833518, "molecule_chembl_id": "CHEMBL3823931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATGLISTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833523", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833523, "molecule_chembl_id": "CHEMBL3898452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-185"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ncn(/C=C\\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828820", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMPHENICOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828820, "molecule_chembl_id": "CHEMBL1236282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.23", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Thiamphenicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06318", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833524", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833524, "molecule_chembl_id": "CHEMBL3901007", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "549.42", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KML29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831187", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831187, "molecule_chembl_id": "CHEMBL247471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.95", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS 299897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1ccc(F)cc1CCCC(=O)O)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828823", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828823, "molecule_chembl_id": "CHEMBL1692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.88", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imipramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6546", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833529", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833529, "molecule_chembl_id": "CHEMBL3914714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.95", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834392", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834392, "molecule_chembl_id": "CHEMBL4303547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.44", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-3230"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833413", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833413, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK 128 (MLN0128)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833417", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELINEXOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833417, "molecule_chembl_id": "CHEMBL3545185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.31", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SELINEXOR (KPT-330)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833359", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833359, "molecule_chembl_id": "CHEMBL3352946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-CYANOPYRIMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ncccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833365", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833365, "molecule_chembl_id": "CHEMBL3356143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829231", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIOQUINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829231, "molecule_chembl_id": "CHEMBL497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.50", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828932", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURTIMOX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828932, "molecule_chembl_id": "CHEMBL290960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.30", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nifurtimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828747", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828747, "molecule_chembl_id": "CHEMBL1243041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.88", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R)-Duloxetine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6923", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828684", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOTROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828684, "molecule_chembl_id": "CHEMBL1578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.35", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Anisotropine Methylbromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7237", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828635", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIANIDANOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828635, "molecule_chembl_id": "CHEMBL311498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cianidanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828686", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDRALAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828686, "molecule_chembl_id": "CHEMBL2107516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Budralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=C/C(C)=N/N=c1/[nH]ncc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828641", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLPHTHALEIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828641, "molecule_chembl_id": "CHEMBL63857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.33", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenolphthalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08943", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828901", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETANILIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828901, "molecule_chembl_id": "CHEMBL269644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acetanilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833688", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833688, "molecule_chembl_id": "CHEMBL448620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.74", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SNAP-5089"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833266", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833266, "molecule_chembl_id": "CHEMBL3186128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.87", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KY02111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828570", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828570, "molecule_chembl_id": "CHEMBL1558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.87", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prazosin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834029", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834029, "molecule_chembl_id": "CHEMBL4303366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METAZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C(C)OC)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834032", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834032, "molecule_chembl_id": "CHEMBL255787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A740003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833703", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFATUTAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833703, "molecule_chembl_id": "CHEMBL3545280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.60", "alogp": "5.04", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "INOLITAZONE (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834378", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834378, "molecule_chembl_id": "CHEMBL4303508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP 673451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831416", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831416, "molecule_chembl_id": "CHEMBL509860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.36", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2183240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836290", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDACATEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836290, "molecule_chembl_id": "CHEMBL1095777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indacaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2891", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836292", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOCYANINE GREEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836292, "molecule_chembl_id": "CHEMBL1201304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "753.00", "alogp": "8.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "indocyanine-green"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2\\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831434", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREOSULFAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831434, "molecule_chembl_id": "CHEMBL455186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.30", "alogp": "-2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TREOSULFAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836379", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRANISETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836379, "molecule_chembl_id": "CHEMBL1237080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.88", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Granisetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1701", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831444", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RADEZOLID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831444, "molecule_chembl_id": "CHEMBL455461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.46", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RADEZOLID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828404", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828404, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORATADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833174", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833174, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208(RVX-000222)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833625", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833625, "molecule_chembl_id": "CHEMBL1256723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DOXYCYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828870", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPERASTINE HYDROCLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828870, "molecule_chembl_id": "CHEMBL1492516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.33", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828639", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENCLOZIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828639, "molecule_chembl_id": "CHEMBL1909282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.71", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenclozic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2533", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828688", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPROMAZINE SULFOXIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828688, "molecule_chembl_id": "CHEMBL823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.87", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlorpromazine Sulfoxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.938", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2[S+]([O-])c2ccc(Cl)cc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829971", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDAFENACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829971, "molecule_chembl_id": "CHEMBL53366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "IMIDAFENACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828615", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXYPROPIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828615, "molecule_chembl_id": "CHEMBL312311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.18", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Paroxypropione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833515", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833515, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEXIDARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831279", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831279, "molecule_chembl_id": "CHEMBL254778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.33", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-17203212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831029", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT 737", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831029, "molecule_chembl_id": "CHEMBL376408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.45", "alogp": "7.88", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ABT-737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "63.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836172", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRILAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836172, "molecule_chembl_id": "CHEMBL511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrilamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836174", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.300173552,0.074216205)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE ETHYLCARBONATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836174, "molecule_chembl_id": "CHEMBL3138665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.49", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quinine-ethyl-carbonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1872", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836175", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836175, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltitrexed"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831305", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831305, "molecule_chembl_id": "CHEMBL263664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.85", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT128930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836011", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836011, "molecule_chembl_id": "CHEMBL1547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2886", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836021", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIGECYCLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836021, "molecule_chembl_id": "CHEMBL376140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.66", "alogp": "0.51", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Tigecycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1712", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830950", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830950, "molecule_chembl_id": "CHEMBL477923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARTHENOLIDE ((-)-PARTHENOLIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\\CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827325", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.25", "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827325, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5630.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830792", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830792, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OLTIPRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830805", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPICILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830805, "molecule_chembl_id": "CHEMBL1200758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMPICILLIN (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830816, "molecule_chembl_id": "CHEMBL184074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.74", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ZK-164015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828088", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828088, "molecule_chembl_id": "CHEMBL4303291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.72", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Levopropoxyphene napsylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834945", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIPIMOX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834945, "molecule_chembl_id": "CHEMBL345714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acipimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.138", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)O)c[n+]1[O-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832796", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOBUTAMBEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832796, "molecule_chembl_id": "CHEMBL1985617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOBUTAMBEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYMAZOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832979, "molecule_chembl_id": "CHEMBL2106467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.33", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYMAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)c(OCC2=NCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833579", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833579, "molecule_chembl_id": "CHEMBL4098253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828939", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLAZURIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828939, "molecule_chembl_id": "CHEMBL284733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.64", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diclazuril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833645", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCEROL MONOLAURATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833645, "molecule_chembl_id": "CHEMBL510533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLYCEROL-MONOLAURATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834664", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834664, "molecule_chembl_id": "CHEMBL4303262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "775.82", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "NEMONAPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl.CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834376", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834376, "molecule_chembl_id": "CHEMBL4303449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.44", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ARQ 621"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833815", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORNIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833815, "molecule_chembl_id": "CHEMBL1449676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.63", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ORNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828691", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANDOSPIRONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828691, "molecule_chembl_id": "CHEMBL274047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.50", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tandospirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834596", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834596, "molecule_chembl_id": "CHEMBL4241824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.65", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 3008348 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834384", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834384, "molecule_chembl_id": "CHEMBL4303371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+/-)-EXO,EXO-2,3-CAMPHANEDIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2CC[C@@]1(C)[C@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834680", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.63 \u00b1 0.28", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.20", "bao_label": "organism-based format", "molecule_pref_name": "PEVONEDISTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834680, "molecule_chembl_id": "CHEMBL2364622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.99", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEVONEDISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "630.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD1446", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833824, "molecule_chembl_id": "CHEMBL2179529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD1446"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)o1)N1CC2CNCC2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829204", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829204, "molecule_chembl_id": "CHEMBL9453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.42", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RWJ-50271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838978", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50 < IC50 BUT CC ONLY GOES TO 25%", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838978, "molecule_chembl_id": "CHEMBL4303785", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1032.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PS3061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "110.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)CC1NC(=O)C(Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CCC#N)OC(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832034", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832034, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LODOXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836256", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSINOPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836256, "molecule_chembl_id": "CHEMBL3039598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.67", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "fosinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831388", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SENICAPOC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831388, "molecule_chembl_id": "CHEMBL405821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SENICAPOC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836431", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOGREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836431, "molecule_chembl_id": "CHEMBL1771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.83", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clopidogrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836358", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMADACYCLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836358, "molecule_chembl_id": "CHEMBL1689772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.66", "alogp": "1.32", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Omadacycline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836269", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANETHIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836269, "molecule_chembl_id": "CHEMBL765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.31", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "guanethidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NCCN1CCCCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836066", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LASMIDITAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836066, "molecule_chembl_id": "CHEMBL3039520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.37", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lasmiditan (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836466", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOVALONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836466, "molecule_chembl_id": "CHEMBL17205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclovalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.231", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCC/C(=C\\c3ccc(O)c(OC)c3)C2=O)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831653", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURSOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831653, "molecule_chembl_id": "CHEMBL485549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFURSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836078", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSULPIRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836078, "molecule_chembl_id": "CHEMBL267044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Levosulpiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1209", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827195", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.20", "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYPROGESTERONE CAPROATE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827195, "molecule_chembl_id": "CHEMBL1200848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hydroxyprogesterone caproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6300.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831446", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTERMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831446, "molecule_chembl_id": "CHEMBL1200912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.70", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENTERMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836081", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIOTHYRONINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836081, "molecule_chembl_id": "CHEMBL1544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "T3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01634", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836493", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURTIMOX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836493, "molecule_chembl_id": "CHEMBL290960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.30", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nifurtimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1929", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831214", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMHEXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831214, "molecule_chembl_id": "CHEMBL1319139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.60", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMHEXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-38.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829236", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HISTAMINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829236, "molecule_chembl_id": "CHEMBL1533310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.07", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HISTAMINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830089", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830089, "molecule_chembl_id": "CHEMBL293391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-METHYL-1H-IMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834409", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834409, "molecule_chembl_id": "CHEMBL4303156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.54", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL-113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-c2ccc(OC(=O)N(C)Cc3cccc(-c4ccncc4)c3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830154", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOXICAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830154, "molecule_chembl_id": "CHEMBL302795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TENOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834720", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "16.04 \u00b1 5.96", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.79", "bao_label": "organism-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834720, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BREXPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16040.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834446", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834446, "molecule_chembl_id": "CHEMBL4303594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.39", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-409"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829748", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINOXIDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829748, "molecule_chembl_id": "CHEMBL802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINOXIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830025", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROFLAVINE HEMISULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830025, "molecule_chembl_id": "CHEMBL465704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.58", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROFLAVINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836502", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836502, "molecule_chembl_id": "CHEMBL1421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.02", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dasatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830472", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830472, "molecule_chembl_id": "CHEMBL323612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-471474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834981", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAXOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834981, "molecule_chembl_id": "CHEMBL423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.43", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betaxolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMIPRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830477, "molecule_chembl_id": "CHEMBL1168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.52", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMIPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834996", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPIROME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834996, "molecule_chembl_id": "CHEMBL65794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.59", "alogp": "-1.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "cefpirome"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838657", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUVOGLUSTAT", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838657, "molecule_chembl_id": "CHEMBL307429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-Deoxynojirimycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831230", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STIGMASTEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831230, "molecule_chembl_id": "CHEMBL400247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.70", "alogp": "7.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "STIGMASTEROL (STIGMASTERIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831233", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTODOXONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831233, "molecule_chembl_id": "CHEMBL253144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CORTODOXONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833233", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833233, "molecule_chembl_id": "CHEMBL3115681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ON123300"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833245", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UPROSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833245, "molecule_chembl_id": "CHEMBL3137336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.25", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "UPROSERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828544", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDESONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828544, "molecule_chembl_id": "CHEMBL1370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Budesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828556", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYSOSTIGMINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828556, "molecule_chembl_id": "CHEMBL2105891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "648.78", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eserine hemisulfate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833419", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROCILETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833419, "molecule_chembl_id": "CHEMBL3545308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.56", "alogp": "4.78", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ROCILETINIB (CO-1686, AVL-301)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829223", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829223, "molecule_chembl_id": "CHEMBL1607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.91", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOPOTECAN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833422", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MSX-122", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833422, "molecule_chembl_id": "CHEMBL3545330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.35", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MSX-122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828618", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828618, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833324", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833324, "molecule_chembl_id": "CHEMBL3181805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.16", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-((Z)-3-CHLOROALLYL)-1,3,5,7-TETRAAZAADAMANTAN- 1-IUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl/C=C\\C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828627", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOMIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828627, "molecule_chembl_id": "CHEMBL485696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfisomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04727", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828632", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVABRADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828632, "molecule_chembl_id": "CHEMBL2145077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.06", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ivabradine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828633", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIRACETAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828633, "molecule_chembl_id": "CHEMBL36633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Oxiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2714", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(O)CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833289", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833289, "molecule_chembl_id": "CHEMBL3222141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.36", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AK-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828670", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GESTODENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828670, "molecule_chembl_id": "CHEMBL1213583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gestodene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828676", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZARONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828676, "molecule_chembl_id": "CHEMBL1474963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4218", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828604", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERIPRONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828604, "molecule_chembl_id": "CHEMBL70927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferiprone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1991", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)ccn1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828681", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828681, "molecule_chembl_id": "CHEMBL188952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.71", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pirprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828883", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANCICLOVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828883, "molecule_chembl_id": "CHEMBL182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ganciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1348", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(COC(CO)CO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830228", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOCAPROIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830228, "molecule_chembl_id": "CHEMBL1046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOCAPROIC ACID HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828373", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMITAPIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828373, "molecule_chembl_id": "CHEMBL354541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "693.73", "alogp": "8.38", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lomitapide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836217", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOLASETRON MESYLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836217, "molecule_chembl_id": "CHEMBL2368924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolasetron mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836218", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORAMECTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836218, "molecule_chembl_id": "CHEMBL2361641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "899.13", "alogp": "5.91", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "doramectin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\\C=C\\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834953", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834953, "molecule_chembl_id": "CHEMBL135587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alpha-hydroxydeoxycholic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1858", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCC(=O)O)[C@H]1CCC2C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828755", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGABALIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828755, "molecule_chembl_id": "CHEMBL1059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREGABALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](CN)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829436", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FR-122047", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829436, "molecule_chembl_id": "CHEMBL275809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR-122047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833772, "molecule_chembl_id": "CHEMBL3348958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.30", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BILOBALIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)C231", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835183", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBENONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835183, "molecule_chembl_id": "CHEMBL1652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.58", "alogp": "4.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ambenonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830546", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENOXINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830546, "molecule_chembl_id": "CHEMBL1200654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.88", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENOXINATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835781", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RONIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835781, "molecule_chembl_id": "CHEMBL290299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.15", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ronidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c([N+](=O)[O-])cnc1COC(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829765", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829765, "molecule_chembl_id": "CHEMBL36715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834471", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834471, "molecule_chembl_id": "CHEMBL4303356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFATHIAMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CS/C(=N/C(C)C)NC(C)C)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834475", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLENEIODONIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834475, "molecule_chembl_id": "CHEMBL365739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHENYLENEIODONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)[I+]c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829847", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCITRIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829847, "molecule_chembl_id": "CHEMBL846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "022, calcitriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834547", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAROGLITAZAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834547, "molecule_chembl_id": "CHEMBL4297530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SAROGLITAZAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834548", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834548, "molecule_chembl_id": "CHEMBL4303647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IEM 1754 DIHYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCNCC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829781", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICI-199,441", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829781, "molecule_chembl_id": "CHEMBL38576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.34", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-199441"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829783", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829783, "molecule_chembl_id": "CHEMBL38508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.50", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-0742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834551", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834551, "molecule_chembl_id": "CHEMBL4303483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.21", "alogp": "-3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ACETYL-D-GLUCOSAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829941", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UFIPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829941, "molecule_chembl_id": "CHEMBL892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OMEPRAZOLE SULPHIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829796", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RONIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829796, "molecule_chembl_id": "CHEMBL290299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.15", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ronidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c([N+](=O)[O-])cnc1COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835490", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHENODIOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835490, "molecule_chembl_id": "CHEMBL240597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chenodeoxycholic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2031", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834651", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIUM GLUCEPTATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834651, "molecule_chembl_id": "CHEMBL1237066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.42", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CALCIUM GLUCEPTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834362", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834362, "molecule_chembl_id": "CHEMBL4303509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.25", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORG-9768"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CN)Cc2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835386", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELFINAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835386, "molecule_chembl_id": "CHEMBL584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.80", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nelfinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830204", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGASEROD MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830204, "molecule_chembl_id": "CHEMBL1516474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TEGASEROD MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830811", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830811, "molecule_chembl_id": "CHEMBL180966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALX-5407"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830689", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830689, "molecule_chembl_id": "CHEMBL358150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829915", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBLASTINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829915, "molecule_chembl_id": "CHEMBL378544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "909.07", "alogp": "3.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "VINBLASTINE (SULFATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834620", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834620, "molecule_chembl_id": "CHEMBL4303589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.25", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NS-11021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nnn[nH]2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834621", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834621, "molecule_chembl_id": "CHEMBL4303484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.64", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICG-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829921", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829921, "molecule_chembl_id": "CHEMBL49302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.56", "alogp": "5.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY223982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834625", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834625, "molecule_chembl_id": "CHEMBL1628565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY344864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829810", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARAFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829810, "molecule_chembl_id": "CHEMBL542157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.83", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SARAFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834512", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834512, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BAICALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOGUVACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829816, "molecule_chembl_id": "CHEMBL540303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.60", "alogp": "-0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOGUVACINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829824, "molecule_chembl_id": "CHEMBL406845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.78", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829825", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMINDIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829825, "molecule_chembl_id": "CHEMBL288496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROMINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834525", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834525, "molecule_chembl_id": "CHEMBL1233766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-118,551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834532", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834532, "molecule_chembl_id": "CHEMBL4303330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCc1c[nH]c2ccccc12)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830341", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830341, "molecule_chembl_id": "CHEMBL536480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.45", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-4031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829727", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREQUINSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829727, "molecule_chembl_id": "CHEMBL1256910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.96", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TREQUINSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c/c(=N\\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834429", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GERMANIUM SESQUIOXIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834429, "molecule_chembl_id": "CHEMBL1095301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.36", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PROPAGERMANIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834387", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERBARONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834387, "molecule_chembl_id": "CHEMBL1765797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.28", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MERBARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830076", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFLUMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830076, "molecule_chembl_id": "CHEMBL63323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFLUMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835436", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835436, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Allopregnanolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835066", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835066, "molecule_chembl_id": "CHEMBL2359059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.95", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propiverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3138", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835074", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACTOPAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835074, "molecule_chembl_id": "CHEMBL509336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.39", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ractopamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0741", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835075", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMATROBAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835075, "molecule_chembl_id": "CHEMBL361812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ramatroban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05053", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835559", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICOSULFURIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835559, "molecule_chembl_id": "CHEMBL1741134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.45", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Picosulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.001463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829123", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHARBITAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829123, "molecule_chembl_id": "CHEMBL450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHARBITAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)NC(=O)N(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830564", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830564, "molecule_chembl_id": "CHEMBL334491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.45", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835459", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AROTINOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835459, "molecule_chembl_id": "CHEMBL93298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.55", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "arotinolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828370", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828370, "molecule_chembl_id": "CHEMBL4303332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.28", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azasetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830736", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONIPORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830736, "molecule_chembl_id": "CHEMBL355862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZONIPORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830548", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POZANICLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830548, "molecule_chembl_id": "CHEMBL127071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "POZANICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncccc1OC[C@@H]1CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834115", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834115, "molecule_chembl_id": "CHEMBL1712596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.40", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GINKGOLIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]21O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832823", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACLATASVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832823, "molecule_chembl_id": "CHEMBL2023898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "738.89", "alogp": "6.22", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DACLATASVIR (BMS-790052)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834106", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834106, "molecule_chembl_id": "CHEMBL3392011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.17", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM DANSHENSU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828605", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OROTIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828605, "molecule_chembl_id": "CHEMBL1235017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Orotic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3534", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)[nH]c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829122", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOBARBITAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829122, "molecule_chembl_id": "CHEMBL448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOBARBITAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829194", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829194, "molecule_chembl_id": "CHEMBL422037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.21", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CB-10-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828782", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828782, "molecule_chembl_id": "CHEMBL444963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "813.98", "alogp": "2.77", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Midecamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833457", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833457, "molecule_chembl_id": "CHEMBL3609326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.40", "alogp": "5.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829392", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HONOKIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829392, "molecule_chembl_id": "CHEMBL16901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HONOKIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834307", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARTEINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834307, "molecule_chembl_id": "CHEMBL2303617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.54", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPARTEINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.O.O.O.O.O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834360", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRONIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834360, "molecule_chembl_id": "CHEMBL4297288", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "F351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccc(O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834560", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834560, "molecule_chembl_id": "CHEMBL4303581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GASTRODIN (GASTRODINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834798", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "136.76 \u00b1 72.31", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834798, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUNARIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "136760.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834564", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834564, "molecule_chembl_id": "CHEMBL4303339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEMAGACESTAT (LY450139)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834364", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APILIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834364, "molecule_chembl_id": "CHEMBL4297643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "APILIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829961", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829961, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835297", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835297, "molecule_chembl_id": "CHEMBL939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gefitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834834", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834834, "molecule_chembl_id": "CHEMBL550495", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "373.91", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834196", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834196, "molecule_chembl_id": "CHEMBL4303320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.56", "alogp": "-1.35", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NARINGIN DIHYDROCHALCONE (NARINGIN DC)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830603", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830603, "molecule_chembl_id": "CHEMBL441095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.53", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-142633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829746", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASUDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829746, "molecule_chembl_id": "CHEMBL541388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.84", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FASUDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834857", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834857, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIDOFLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830158", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830158, "molecule_chembl_id": "CHEMBL1552895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.94", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834284", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTOPORPHYRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834284, "molecule_chembl_id": "CHEMBL1325592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.67", "alogp": "7.50", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PROTOPORPHYRIN IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830497", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830497, "molecule_chembl_id": "CHEMBL325226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPY-5RA972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834497", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834497, "molecule_chembl_id": "CHEMBL1187085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.15", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIGONELLINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834177", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834177, "molecule_chembl_id": "CHEMBL4303661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.82", "alogp": "9.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC1NDSS5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "130.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEROPENEM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829477, "molecule_chembl_id": "CHEMBL127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829279", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KAINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829279, "molecule_chembl_id": "CHEMBL275040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.23", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KAINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833838", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833838, "molecule_chembl_id": "CHEMBL4289507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.29", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OG-L002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832851", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832851, "molecule_chembl_id": "CHEMBL2057912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCI-29732"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829457", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829457, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IBUDILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833848", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPRANOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833848, "molecule_chembl_id": "CHEMBL305380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUPRANOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833552", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIROXIMEL FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833552, "molecule_chembl_id": "CHEMBL3989944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-(2,5-DIOXOPYRROLIDIN-1-YL)ETHYL METHYL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828303", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXYLCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828303, "molecule_chembl_id": "CHEMBL1200715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.83", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hexylcaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNC1CCCCC1)OC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834382", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834382, "molecule_chembl_id": "CHEMBL4303598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.37", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-W-9798"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828673", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828673, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fipronil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01629", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829410", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSIGLITAZONE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829410, "molecule_chembl_id": "CHEMBL843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.51", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSIGLITAZONE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834598", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834598, "molecule_chembl_id": "CHEMBL4303470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "592.14", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK-923295"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834682", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.64 \u00b1 0.14", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.19", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834682, "molecule_chembl_id": "CHEMBL85164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830390", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830390, "molecule_chembl_id": "CHEMBL262766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.33", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-58483"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831664", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LXR-623", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831664, "molecule_chembl_id": "CHEMBL456237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.78", "alogp": "6.70", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "LXR-623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835023", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NONIVAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835023, "molecule_chembl_id": "CHEMBL75124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nonivamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2361", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838726", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M2", "pchembl_value": "5.33", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303774", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL211", "activity_id": 18838726, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4677.35", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.52", "sei": "18.93", "bei": "16.66", "le": "0.33"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832169", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COCARBOXYLASE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832169, "molecule_chembl_id": "CHEMBL2104121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.77", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIAMINE PYROPHOSPHATE CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839030", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL CURVE NOT SATURATED AT 20 UM, 30%  VIABILITIY WITH IC50 ~ 1 NM? (MAYBE OFF TARGET EFFECT?) ", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839030, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK128; 73"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3097", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833632", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMYLOCAINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833632, "molecule_chembl_id": "CHEMBL1740065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.33", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMYLEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(CN(C)C)OC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827503", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZOLASTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827503, "molecule_chembl_id": "CHEMBL94454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mizolastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6881", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827504", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827504, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amisulpride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09462", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832217", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAROPENEM MEDOXOMIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832217, "molecule_chembl_id": "CHEMBL1257070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.41", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FAROPENEM DALOXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827506", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERCAPTOPURINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827506, "molecule_chembl_id": "CHEMBL1425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.18", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mercaptopurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833377", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833377, "molecule_chembl_id": "CHEMBL3393066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.42", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VS-5584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832428", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMOL IODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832428, "molecule_chembl_id": "CHEMBL1482931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "550.22", "alogp": "7.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THYMOL IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832434", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832434, "molecule_chembl_id": "CHEMBL1485629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.24", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-63197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c(C)cn2nc(N)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827676", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIDANOSINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827676, "molecule_chembl_id": "CHEMBL1460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Didanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1324", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827609", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827609, "molecule_chembl_id": "CHEMBL1405927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.22", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hexamethonium dibromide dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01864", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCC[N+](C)(C)C.O.O.[Br-].[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838665", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838665, "molecule_chembl_id": "CHEMBL254578", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827614", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXICAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827614, "molecule_chembl_id": "CHEMBL53292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isoxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0392", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830994", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORODESINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830994, "molecule_chembl_id": "CHEMBL550755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.72", "alogp": "-2.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "FORODESINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832227", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VTP-27999", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832227, "molecule_chembl_id": "CHEMBL1276678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.09", "alogp": "3.58", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "VTP-27999 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838888", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838888, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838894", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARITAL/INCONCLUSIVE PARTIAL INHIBITION, INCONCLUSIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838894, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.178", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838994", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838994, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.015", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838832", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838832, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17988.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830141", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIROCOXIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830141, "molecule_chembl_id": "CHEMBL69998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.41", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIROCOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828679", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEFUNOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828679, "molecule_chembl_id": "CHEMBL153984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Befunolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1215", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830010", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830010, "molecule_chembl_id": "CHEMBL56331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.44", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-100329"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833313", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELACEBEC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833313, "molecule_chembl_id": "CHEMBL3298910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.02", "alogp": "6.76", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Q-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829195", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829195, "molecule_chembl_id": "CHEMBL1256321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.14", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(3-CHLOROPHENYL)PIPERAZINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(N2CCNCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828910", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828910, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artesunate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829130", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRYNIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829130, "molecule_chembl_id": "CHEMBL456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHACRYNIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833409", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833409, "molecule_chembl_id": "CHEMBL3894333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.74", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADX-10059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828053", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828053, "molecule_chembl_id": "CHEMBL1565476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azapropazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9817", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828064", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEKALANT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828064, "molecule_chembl_id": "CHEMBL360861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.46", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nifekalant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5554", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834259", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834259, "molecule_chembl_id": "CHEMBL4303679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.59", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-1100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833459", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833459, "molecule_chembl_id": "CHEMBL3613749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.03", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 2830371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828947", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOTHIAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828947, "molecule_chembl_id": "CHEMBL828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.28", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833472", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2X-121", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833472, "molecule_chembl_id": "CHEMBL3644587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.35", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "E7449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828769", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828769, "molecule_chembl_id": "CHEMBL4303149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.48", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DO 897/99"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5362", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833474", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833474, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828772", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPATINIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828772, "molecule_chembl_id": "CHEMBL554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.07", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lapatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4248", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833476", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833476, "molecule_chembl_id": "CHEMBL3672295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OTS514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828780", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828780, "molecule_chembl_id": "CHEMBL3181841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ramosetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3088", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834310", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834310, "molecule_chembl_id": "CHEMBL4301645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.33", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-LSD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829242", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829242, "molecule_chembl_id": "CHEMBL1715705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.73", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OZAGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829155", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOHIPPURIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829155, "molecule_chembl_id": "CHEMBL463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOHIPPURIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)NCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834315", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834315, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BONAPHTHONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829618", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAMIFENACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829618, "molecule_chembl_id": "CHEMBL27507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZAMIFENACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834319", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834319, "molecule_chembl_id": "CHEMBL4303165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.08", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-FP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ncc(F)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829523", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARGYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829523, "molecule_chembl_id": "CHEMBL1200425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.69", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PARGYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834321", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834321, "molecule_chembl_id": "CHEMBL4303163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBIPES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2ccc(C#N)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834322", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834322, "molecule_chembl_id": "CHEMBL4303160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT3190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835934", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICOSAPENT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835934, "molecule_chembl_id": "CHEMBL460026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SID50110832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831258", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831258, "molecule_chembl_id": "CHEMBL1516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OLMESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836028", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIZANIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836028, "molecule_chembl_id": "CHEMBL1079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.72", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tizanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836036", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLVAPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836036, "molecule_chembl_id": "CHEMBL344159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolvaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1093", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830874", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830874, "molecule_chembl_id": "CHEMBL191467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.12", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PMPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827187", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.72", "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827187, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "190.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832337", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832337, "molecule_chembl_id": "CHEMBL1398474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.89", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "10-DEBC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832297", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832297, "molecule_chembl_id": "CHEMBL1357656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.22", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ACETYLGLYCYL-D-GLUTAMIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833992", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENDILINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833992, "molecule_chembl_id": "CHEMBL254832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.46", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FENDILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833567", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRITELIVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833567, "molecule_chembl_id": "CHEMBL4069597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.50", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRITELIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833502, "molecule_chembl_id": "CHEMBL3782004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.17", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TH588"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832690", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832690, "molecule_chembl_id": "CHEMBL1788312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.49", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7114"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833146", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3,5-DIIODOTHYROPROPIONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833146, "molecule_chembl_id": "CHEMBL2348292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.07", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DIIODOTHYROPROPIONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828351", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828351, "molecule_chembl_id": "CHEMBL551466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aclidinium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828716", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828716, "molecule_chembl_id": "CHEMBL1358662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R) Propranolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.866", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827568", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFEROXAMINE MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827568, "molecule_chembl_id": "CHEMBL1234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.80", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Deferoxamine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0003225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828237", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLECALCIFEROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828237, "molecule_chembl_id": "CHEMBL1042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cholecalciferol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839013", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839013, "molecule_chembl_id": "CHEMBL222301", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-PPCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "261.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838842", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838842, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "261.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827374", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.05", "bao_label": "organism-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827374, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8980.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827379", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827379, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Dihydrochloride Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34420.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827385", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827385, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29680.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838904", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARITAL INHIBITION VIRAL INHIBITION GOES DOWN TO 50%", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838904, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.964", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827883", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827883, "molecule_chembl_id": "CHEMBL4303202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.82", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tropisetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2049", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831680", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYC-116", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831680, "molecule_chembl_id": "CHEMBL482967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.47", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CYC116"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827225", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ANIDULAFUNGIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827225, "molecule_chembl_id": "CHEMBL264241", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "AND"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831791", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831791, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE-788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831036", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-SITOSTEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831036, "molecule_chembl_id": "CHEMBL221542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.72", "alogp": "8.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BETA-SITOSTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835910", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOQUINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835910, "molecule_chembl_id": "CHEMBL86754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.95", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diiodohydroxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c2cccnc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835913", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINITOLMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835913, "molecule_chembl_id": "CHEMBL472565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dinitolmide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831882", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDACATEROL MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831882, "molecule_chembl_id": "CHEMBL1789842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDACATEROL MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827354", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827354, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37960.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827594", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPANTHENOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827594, "molecule_chembl_id": "CHEMBL1200979", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.25", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(D)-Panthenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03802", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCCO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835921", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORZOLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835921, "molecule_chembl_id": "CHEMBL218490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.45", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "7 (dorzolamide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838774", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "AGONIST AGONIST", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838774, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "601.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831061", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831061, "molecule_chembl_id": "CHEMBL375629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.63", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "N-BENZYLNALTRINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832193", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALLORPHAN TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832193, "molecule_chembl_id": "CHEMBL2062276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVALLORPHAN TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832195", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832195, "molecule_chembl_id": "CHEMBL1255655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.08", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DCEBIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839023", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839023, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9615", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832088", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832088, "molecule_chembl_id": "CHEMBL2391908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.77", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-54626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832207", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832207, "molecule_chembl_id": "CHEMBL1256697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.46", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NCGC00025198-02, CGP-7930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832214", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICOTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832214, "molecule_chembl_id": "CHEMBL1257015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.42", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PICOTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838912", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838912, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170465625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "255.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833927", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCOPOLAMINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833927, "molecule_chembl_id": "CHEMBL2251240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.32", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SCOPOLAMINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828368", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FROVATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828368, "molecule_chembl_id": "CHEMBL1200371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Frovatriptan succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833432", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833432, "molecule_chembl_id": "CHEMBL3901539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "658.71", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FLUMATINIB (MESYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828452", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828452, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834000, "molecule_chembl_id": "CHEMBL4303489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "792.02", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ASCOMYCIN (FK520)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1/C=C(\\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829305", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETANAPHTHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829305, "molecule_chembl_id": "CHEMBL14126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.17", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-NAPHTHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829531", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829531, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETOMIDATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829091", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAZOLINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829091, "molecule_chembl_id": "CHEMBL266540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HQN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833092", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEXTURASTAT A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833092, "molecule_chembl_id": "CHEMBL2179618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEXTURASTAT A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829327", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-243213", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829327, "molecule_chembl_id": "CHEMBL14460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-243213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833096", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833096, "molecule_chembl_id": "CHEMBL2181226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.49", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-G-1005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833018", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYALURONATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833018, "molecule_chembl_id": "CHEMBL2105008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.32", "alogp": "-4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HYALURONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828256", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828256, "molecule_chembl_id": "CHEMBL4303563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.65", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-phenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831493", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETRIXABAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831493, "molecule_chembl_id": "CHEMBL512351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.91", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETRIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836368", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOFENOPRIL CALCIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836368, "molecule_chembl_id": "CHEMBL2105776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "897.19", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zofenopril-calcium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832308", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832308, "molecule_chembl_id": "CHEMBL1363184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY303511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832667", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAFUTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832667, "molecule_chembl_id": "CHEMBL1742461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LAFUTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])Cc1ccco1)NC/C=C\\COc1cc(CN2CCCCC2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832311", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832311, "molecule_chembl_id": "CHEMBL1368146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.09", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836515", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LESINURAD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836515, "molecule_chembl_id": "CHEMBL2105720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.29", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lesinurad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2055", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838672", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABBV-744", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838672, "molecule_chembl_id": "CHEMBL4297454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.56", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ABBV-744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "293.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832320", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832320, "molecule_chembl_id": "CHEMBL1255658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.25", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-HYDROXYDECANOATE SODIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(O)CCCC(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831725", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEXIBULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831725, "molecule_chembl_id": "CHEMBL552212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.54", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CYT997"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827627", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827627, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1318", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832335", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832335, "molecule_chembl_id": "CHEMBL2359260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.00", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LORECLEZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl/C(=C\\n1cncn1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832336", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832336, "molecule_chembl_id": "CHEMBL1397913", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.89", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827640", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACLOFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827640, "molecule_chembl_id": "CHEMBL701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832801", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832801, "molecule_chembl_id": "CHEMBL1995703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.68", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG101209"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828732", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANETHOLTRITHION", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828732, "molecule_chembl_id": "CHEMBL178862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anethole-trithione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.029", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=S)ss2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828889", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828889, "molecule_chembl_id": "CHEMBL241778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.46", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID56463084"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06663", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833447", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833447, "molecule_chembl_id": "CHEMBL3590106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.34", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ULIXERTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832254", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832254, "molecule_chembl_id": "CHEMBL1321988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRS 2578"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833907", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENCYCLIMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833907, "molecule_chembl_id": "CHEMBL1200891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPHENCYCLIMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833053", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833053, "molecule_chembl_id": "CHEMBL2143592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.85", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS 794833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832560", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832560, "molecule_chembl_id": "CHEMBL1371200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANRENOIC ACID, POTASSIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832919", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITAZANOLAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832919, "molecule_chembl_id": "CHEMBL2104654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.19", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACITAZANOLAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832191", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832191, "molecule_chembl_id": "CHEMBL1254024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.56", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OT-R-ANTAGONIST-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1/C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827190", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": "DRONEDARONE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827190, "molecule_chembl_id": "CHEMBL184412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.77", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3920.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827452", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827452, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.48", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830394, "molecule_chembl_id": "CHEMBL103772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NGD-94-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838717", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST CELLS INFECTED GOES UP TO 200%", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838717, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4897.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827460", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827460, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.31", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834407", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834407, "molecule_chembl_id": "CHEMBL4303190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.67", "alogp": "9.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839032", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL CURVE NOT SATURATED AT 20 UM, 30%  VIABILITIY WITH IC50 ~ 1 NM? (MAYBE OFF TARGET EFFECT?) ", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839032, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK128; 73"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832174", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REFAMETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832174, "molecule_chembl_id": "CHEMBL1236682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.34", "alogp": "3.48", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "REFAMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834105", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834105, "molecule_chembl_id": "CHEMBL1688966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.23", "alogp": "-2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLOPURINOL RIBOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833719", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833719, "molecule_chembl_id": "CHEMBL1256573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.72", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-HYDROXYSACLOFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(O)(CS(=O)(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827244", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827244, "molecule_chembl_id": "CHEMBL1410068", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "5.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isoosajin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9890.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827229", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827229, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cepharanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835314", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835314, "molecule_chembl_id": "CHEMBL4303690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "hemomex-s"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834273", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834273, "molecule_chembl_id": "CHEMBL4303183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "JOSAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835606", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835606, "molecule_chembl_id": "CHEMBL108821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.82", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "sitafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1303", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833606", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORANOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833606, "molecule_chembl_id": "CHEMBL156791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLORANOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830332", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830332, "molecule_chembl_id": "CHEMBL1200396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.90", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUPIVACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832975", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIFOXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832975, "molecule_chembl_id": "CHEMBL2106227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.79", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETIFOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829568", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPYRIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829568, "molecule_chembl_id": "CHEMBL700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.30", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAPYRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828409", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRINOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828409, "molecule_chembl_id": "CHEMBL3989514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "677.19", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Irinotecan hydrochloride trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.061", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827807", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORGYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827807, "molecule_chembl_id": "CHEMBL539507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.64", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clorgyline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830087", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLONIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830087, "molecule_chembl_id": "CHEMBL304253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830904", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830904, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827344", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827344, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11880.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832237", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FTAXILIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832237, "molecule_chembl_id": "CHEMBL1308252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.30", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FTAXILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832554", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOCYANINE GREEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832554, "molecule_chembl_id": "CHEMBL1615807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "754.01", "alogp": "9.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CARDIOGREEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2\\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832155", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832155, "molecule_chembl_id": "CHEMBL1234268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHIONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831980", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYNODIOL DIACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831980, "molecule_chembl_id": "CHEMBL1200624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHYNODIOL DIACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836446", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELITHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836446, "molecule_chembl_id": "CHEMBL1136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "812.02", "alogp": "4.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836447", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENOXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836447, "molecule_chembl_id": "CHEMBL1372341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.25", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirenoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3657", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831652", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORBITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831652, "molecule_chembl_id": "CHEMBL1682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-3.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MANNITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-29.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836534", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836534, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nordihydroguaiaretic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1128", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834268", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834268, "molecule_chembl_id": "CHEMBL4303358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1007.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "OXYTOCIN (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834333", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834333, "molecule_chembl_id": "CHEMBL4303706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.50", "alogp": "4.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK-1562590"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829633", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829633, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831011", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831011, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZAGUANINE-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831019", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831019, "molecule_chembl_id": "CHEMBL216097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.30", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-44408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1c2ccccc2CN1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835964", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETONOGESTREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835964, "molecule_chembl_id": "CHEMBL1531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "etonogestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827278", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827278, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.61", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831982", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NATAMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831982, "molecule_chembl_id": "CHEMBL1200656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "665.73", "alogp": "0.12", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "NATAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827177", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.33", "bao_label": "organism-based format", "molecule_pref_name": "ANIDULAFUNGIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827177, "molecule_chembl_id": "CHEMBL264241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1140.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "AND"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835896", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXIMETASONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835896, "molecule_chembl_id": "CHEMBL1766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "desoximetasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828105", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLIN G SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828105, "molecule_chembl_id": "CHEMBL1126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.38", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzylpenicillin sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838841", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838841, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "252.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831970", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOCOSANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831970, "molecule_chembl_id": "CHEMBL1200453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.61", "alogp": "7.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DOCOSANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836533", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIENTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836533, "molecule_chembl_id": "CHEMBL609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.24", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trientine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1736", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNCCNCCN", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827658", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827658, "molecule_chembl_id": "CHEMBL1659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpheniramine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1736", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835872", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835872, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CX-4945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834404", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834404, "molecule_chembl_id": "CHEMBL4303501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.58", "alogp": "3.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S26948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832996", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IGURATIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832996, "molecule_chembl_id": "CHEMBL2107455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "IGURATIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827749", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRYNIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827749, "molecule_chembl_id": "CHEMBL456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethacrynic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831288", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICILLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831288, "molecule_chembl_id": "CHEMBL258405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.30", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ICILIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832806", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04217903", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832806, "molecule_chembl_id": "CHEMBL2001019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04217903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832349", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMOCAINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832349, "molecule_chembl_id": "CHEMBL1407844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FOMOCAIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835210", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOCORTOLONE PIVALATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835210, "molecule_chembl_id": "CHEMBL1200975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clocortolone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829269", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROHEPTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829269, "molecule_chembl_id": "CHEMBL1716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.87", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROHEPTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828399", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLURANDRENOLIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828399, "molecule_chembl_id": "CHEMBL1201012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.52", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flurandrenolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832702", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832702, "molecule_chembl_id": "CHEMBL1822336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GK921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832788", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832788, "molecule_chembl_id": "CHEMBL1976486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.33", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC319726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=S)N1CCC1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828155", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828155, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethinylestradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834398", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARSENIC TRIOXIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834398, "molecule_chembl_id": "CHEMBL2362016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.68", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ARSENIC TRIOXIDE DIETHANOLAMINE SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O1[As]2O[As]3O[As]1O[As](O2)O3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAFINAMIDE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831126, "molecule_chembl_id": "CHEMBL48582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.46", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAFINAMIDE MESYLATE (FCE28073)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833131", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833131, "molecule_chembl_id": "CHEMBL2325697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828432", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINDOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828432, "molecule_chembl_id": "CHEMBL500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pindolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1341", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827356", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827356, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thiethylperazine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18370.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832695", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832695, "molecule_chembl_id": "CHEMBL1704116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVOBUNOLOL-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827364", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827364, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4030.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827800", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMEZANONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827800, "molecule_chembl_id": "CHEMBL1200714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.74", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlormezanone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06881", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831855, "molecule_chembl_id": "CHEMBL1889140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.87", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROPIVACAINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832147", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYFASUDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832147, "molecule_chembl_id": "CHEMBL1233300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.38", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYFASUDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828023", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828023, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Stavudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831872", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831872, "molecule_chembl_id": "CHEMBL1093534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHP-501 TRIFLUOROACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831873", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL AMINOLEVULINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831873, "molecule_chembl_id": "CHEMBL1201093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.62", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYL AMINOLEVULINATE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCC(=O)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827175", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.18", "bao_label": "organism-based format", "molecule_pref_name": "ABEMACICLIB", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827175, "molecule_chembl_id": "CHEMBL3301610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.61", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abemaciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6620.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832131", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEVONEDISTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832131, "molecule_chembl_id": "CHEMBL2364622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.99", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEVONEDISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828425", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEDIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828425, "molecule_chembl_id": "CHEMBL193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nifedipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828990", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.30", "bao_label": "organism-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828990, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Opipramol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5050.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832500", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832500, "molecule_chembl_id": "CHEMBL1555989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.56", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYL-FARNESYL-CYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832502, "molecule_chembl_id": "CHEMBL3752415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.86", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-323881"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827193", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.17", "bao_label": "organism-based format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827193, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gilteritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6760.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832814", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELNEPERIT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832814, "molecule_chembl_id": "CHEMBL2016681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.46", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VELNEPERIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831863", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831863, "molecule_chembl_id": "CHEMBL1092926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.56", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-BSK805 2HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827166", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.02", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827166, "molecule_chembl_id": "CHEMBL4303559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.51", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YH-1238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(N3CCc4ccccc4C3C)nc(Nc3ccc(F)cc3C)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832820", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832820, "molecule_chembl_id": "CHEMBL3770936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUBASTATIN A HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838826", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFENPRODIL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838826, "molecule_chembl_id": "CHEMBL305187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ifenprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827173", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.96", "bao_label": "organism-based format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827173, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838827", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838827, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1a (synthesized)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833481", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZANIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833481, "molecule_chembl_id": "CHEMBL3707247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.47", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OZANIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833671", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833671, "molecule_chembl_id": "CHEMBL1086339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-5861528"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828967", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828967, "molecule_chembl_id": "CHEMBL1446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.58", "alogp": "-7.29", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Kanamycin A sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2053", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829039", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALIDIXIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829039, "molecule_chembl_id": "CHEMBL5", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalidixic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834039", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834039, "molecule_chembl_id": "CHEMBL164603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(2,8-DIISOPROPYL-3-THIOXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)ACETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c1OC(C(C)C)C(=S)N2CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829065", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829065, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLSTILBESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829733", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOTEROL HBR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829733, "molecule_chembl_id": "CHEMBL537445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.27", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENOTEROL HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833804", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORTETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833804, "molecule_chembl_id": "CHEMBL2146063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.35", "alogp": "0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHLORTETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828926", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828926, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833806", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACAMPICILLIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833806, "molecule_chembl_id": "CHEMBL1200965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.99", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BACAMPICILLIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828685", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYLHYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828685, "molecule_chembl_id": "CHEMBL1562084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.87", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzylhydrochlorothiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03027", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829106", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEVIRIMAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829106, "molecule_chembl_id": "CHEMBL404519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.84", "alogp": "8.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BEVIRIMAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829113", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829113, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILVER-SULFADIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833722", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833722, "molecule_chembl_id": "CHEMBL1594103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.23", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MTPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)(C(=O)O)c1ccc(-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833885", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833885, "molecule_chembl_id": "CHEMBL4303301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TICARCILLIN (DISODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829187", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYBURIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829187, "molecule_chembl_id": "CHEMBL472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.01", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYBURIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829956", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829956, "molecule_chembl_id": "CHEMBL50267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.06", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5,7-DICHLOROKYNURENIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834877", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834877, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834880", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834880, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830176", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXYPROPIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830176, "molecule_chembl_id": "CHEMBL312311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.18", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAROXYPROPIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834448", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834448, "molecule_chembl_id": "CHEMBL4303728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.82", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-CPT-4A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](Cc1ccccc1)C(=O)O)c1sc2cc(F)ccc2c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829754", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829754, "molecule_chembl_id": "CHEMBL806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829755", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829755, "molecule_chembl_id": "CHEMBL1255966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-HYDROXY-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCCN(CCC)C1CCc2ccc(O)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830049", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAMPANEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830049, "molecule_chembl_id": "CHEMBL61872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TALAMPANEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830055", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAROXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830055, "molecule_chembl_id": "CHEMBL539313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.75", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFAROXAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C2=NCCN2)Cc2ccccc2O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834757", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.91 \u00b1 0.13", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834757, "molecule_chembl_id": "CHEMBL1518572", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "390.44", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "910.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834758", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "102.2 \u00b1 73.63", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALMITRINE MESYLATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834758, "molecule_chembl_id": "CHEMBL3181957", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "669.78", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALMITRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102200.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829068", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACROLIMUS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829068, "molecule_chembl_id": "CHEMBL269732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "804.03", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TACROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830295", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830295, "molecule_chembl_id": "CHEMBL327783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPCCOET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C12CC1/C(=N\\O)c1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834077", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834077, "molecule_chembl_id": "CHEMBL1697856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUCETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=O)CC(C)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829380", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829380, "molecule_chembl_id": "CHEMBL576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.09", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCCINIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829382", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRIL MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829382, "molecule_chembl_id": "CHEMBL1200659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENALAPRIL MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834281", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834281, "molecule_chembl_id": "CHEMBL4303311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.39", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BASIC FUCHSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834355", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN ESTOLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834355, "molecule_chembl_id": "CHEMBL2218877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1056.40", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ESTOLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829655", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829655, "molecule_chembl_id": "CHEMBL3215749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.48", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-13069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829656", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829656, "molecule_chembl_id": "CHEMBL280828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.15", "alogp": "0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMOQUINOLINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829972", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829972, "molecule_chembl_id": "CHEMBL2360084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.90", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZUCLOPENTHIXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835196", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BORTEZOMIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835196, "molecule_chembl_id": "CHEMBL325041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SID518755"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9654", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828935", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETHANECHOL CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828935, "molecule_chembl_id": "CHEMBL1768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bethanechol chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1188", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C[N+](C)(C)C)OC(N)=O.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830294", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXICILLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830294, "molecule_chembl_id": "CHEMBL1082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.41", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amoxicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830221", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLVANIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830221, "molecule_chembl_id": "CHEMBL76903", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.63", "alogp": "7.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLVANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835182", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISKIREN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835182, "molecule_chembl_id": "CHEMBL1639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.77", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Aliskiren"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2097", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835432", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835432, "molecule_chembl_id": "CHEMBL1483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Albendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1188", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835185", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835185, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aniracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835486", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALOTHIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835486, "molecule_chembl_id": "CHEMBL617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalothin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835783", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835783, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rosmarinic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1856", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835786", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXITHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835786, "molecule_chembl_id": "CHEMBL1214185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "837.06", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Roxithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835788", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835788, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835792", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARAFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835792, "molecule_chembl_id": "CHEMBL37858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.37", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sarafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1378", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834531", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834531, "molecule_chembl_id": "CHEMBL4303237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.27", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-276"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CC(F)(F)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829832", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENAZEPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829832, "molecule_chembl_id": "CHEMBL1694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.96", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENAZEPRIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830144", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOXIROLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830144, "molecule_chembl_id": "CHEMBL70159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOXIROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834647", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834647, "molecule_chembl_id": "CHEMBL407009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "745.43", "alogp": "-2.57", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADPH (TETRACYCLOHEXANAMINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829662", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULMAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829662, "molecule_chembl_id": "CHEMBL286020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([S+](C)[O-])ccc1-c1nc2ccc[nH]c-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829664", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETABEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829664, "molecule_chembl_id": "CHEMBL31907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.57", "alogp": "7.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CETABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835071", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835071, "molecule_chembl_id": "CHEMBL102970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.16", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "pyridoxal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2466", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(C=O)c1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830855, "molecule_chembl_id": "CHEMBL191422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-TYROSYLGLYCYLGLYCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835327", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOBUFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835327, "molecule_chembl_id": "CHEMBL1765292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.34", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "indobufen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1057", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835565", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALECTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835565, "molecule_chembl_id": "CHEMBL1738797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CH5424802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09966", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833729", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIFRAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833729, "molecule_chembl_id": "CHEMBL278488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.21", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACIFRAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(c2ccccc2)OC(C(=O)O)=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835078", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835078, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Repaglinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834084", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINOFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834084, "molecule_chembl_id": "CHEMBL1897738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLINOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833979, "molecule_chembl_id": "CHEMBL2333944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.43", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DQP-1105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834342", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834342, "molecule_chembl_id": "CHEMBL4303186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.57", "alogp": "-1.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFOSELIS SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3ccc(=N)n3CCO)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830191", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830191, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BEXAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834351", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834351, "molecule_chembl_id": "CHEMBL4303275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.40", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR131675"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830200", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830200, "molecule_chembl_id": "CHEMBL312750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EUPATILIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829865", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAZEDOXIFENE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829865, "molecule_chembl_id": "CHEMBL2106615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.67", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BAZEDOXIFENE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834914", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPIVACAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834914, "molecule_chembl_id": "CHEMBL1098", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.44", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bupivacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830494", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICIRIBINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830494, "molecule_chembl_id": "CHEMBL331237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.31", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRICIRIBINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835225", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACOMITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835225, "molecule_chembl_id": "CHEMBL2105719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.96", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dacomitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.155", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834907", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834907, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830814", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830814, "molecule_chembl_id": "CHEMBL1200756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDOXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CO)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831176", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANAPROGET", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831176, "molecule_chembl_id": "CHEMBL539163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.38", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANAPROGET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831541", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERUBULIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831541, "molecule_chembl_id": "CHEMBL2105697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VERUBULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836480", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACHLORPYRIDAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836480, "molecule_chembl_id": "CHEMBL1443577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.73", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfachloropyridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07178", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831609", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831609, "molecule_chembl_id": "CHEMBL476833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.22", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831610", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831610, "molecule_chembl_id": "CHEMBL449575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.85", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5'-CHLORO-5'-DEOXY-ENBA-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836486", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABEXINOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836486, "molecule_chembl_id": "CHEMBL2103863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PCI-24781"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02119", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831616", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831616, "molecule_chembl_id": "CHEMBL496594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.47", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "COT INHIBITOR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836490", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BILASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836490, "molecule_chembl_id": "CHEMBL1742423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.62", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bilastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1453", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831705", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTENABANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831705, "molecule_chembl_id": "CHEMBL562668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.43", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "OTENABANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835370", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRIZOIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835370, "molecule_chembl_id": "CHEMBL1736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.94", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "metrizoic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835700", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENTIROMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835700, "molecule_chembl_id": "CHEMBL1200368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bentiromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830452", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEBOPRIDE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830452, "molecule_chembl_id": "CHEMBL1599248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.96", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLEBOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835164", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835164, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tryptophan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2037", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835169", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VESNARINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835169, "molecule_chembl_id": "CHEMBL17423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.46", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "vesnarinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835170", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILOXAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835170, "molecule_chembl_id": "CHEMBL306700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.30", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "viloxazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCC1CNCCO1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835175", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WARFARIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835175, "molecule_chembl_id": "CHEMBL1464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.33", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "warfarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06756", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835431", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AKLOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835431, "molecule_chembl_id": "CHEMBL1450565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.58", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aklomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1103", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc([N+](=O)[O-])cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835040", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALONOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835040, "molecule_chembl_id": "CHEMBL1720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.88", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Palonosetron HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1883", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830258", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGABALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830258, "molecule_chembl_id": "CHEMBL1059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREGABALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](CN)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835830", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLOPURINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835830, "molecule_chembl_id": "CHEMBL1467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Allopurinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2[nH][nH]cc1-2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830561", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830561, "molecule_chembl_id": "CHEMBL128136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.29", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFORAPHANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "106.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S@@+]([O-])CCCCN=C=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835056", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRACETAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835056, "molecule_chembl_id": "CHEMBL36715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834967", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZATHIOPRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834967, "molecule_chembl_id": "CHEMBL1542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azathioprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1841", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830261", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANDROSTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830261, "molecule_chembl_id": "CHEMBL87285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANDROSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830263", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIOCHOLANOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830263, "molecule_chembl_id": "CHEMBL85799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834971", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALAPIRAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834971, "molecule_chembl_id": "CHEMBL550936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.51", "alogp": "1.70", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Balapiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830265", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHROMOCARB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830265, "molecule_chembl_id": "CHEMBL83628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.15", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHROMOCARB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-33.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)c2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830419", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXAMORELIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830419, "molecule_chembl_id": "CHEMBL108335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "887.06", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EXAMORELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835329", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835329, "molecule_chembl_id": "CHEMBL2018096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ipragliflozin (ASP1941)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830625", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830625, "molecule_chembl_id": "CHEMBL140979", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.51", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JTC-801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835778", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIPASUDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835778, "molecule_chembl_id": "CHEMBL3426621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.39", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ripasudil (K-115) hydrochloride dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01241", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835698", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835698, "molecule_chembl_id": "CHEMBL2074972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.57", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Benidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1919", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835338", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LENALIDOMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835338, "molecule_chembl_id": "CHEMBL848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.26", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lenalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835266", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.297953289,0.162044165)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRAMUSTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835266, "molecule_chembl_id": "CHEMBL1575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Estramustine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831021", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-269962A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831021, "molecule_chembl_id": "CHEMBL220241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.61", "alogp": "3.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK269962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831124", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831124, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831293", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831293, "molecule_chembl_id": "CHEMBL255682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.47", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827202", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.04", "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827202, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9120.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830766", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARCTIGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830766, "molecule_chembl_id": "CHEMBL435734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARCTIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835801", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835801, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sofalcone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2677", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835802", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLIFENACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835802, "molecule_chembl_id": "CHEMBL1734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Solifenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03148", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835741", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835741, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Primidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827204", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.36", "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827204, "molecule_chembl_id": "CHEMBL416956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.32", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831672", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831672, "molecule_chembl_id": "CHEMBL471411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.41", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827221", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.45", "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827221, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3580.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838875", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838875, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836553", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.389697552,0.164892052)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMOQUINONE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836553, "molecule_chembl_id": "CHEMBL1672002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Thymoquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)C(C(C)C)=CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831681", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831681, "molecule_chembl_id": "CHEMBL483348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DR-2313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(c(=O)[nH]1)CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831789", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831789, "molecule_chembl_id": "CHEMBL600764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.80", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-348"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831544", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831544, "molecule_chembl_id": "CHEMBL494772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.38", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)c(C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831908", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831908, "molecule_chembl_id": "CHEMBL1161936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBOXYPYRIDINE-DISULFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838861", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INCONCLUSIVE, TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERIMEPODIB", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838861, "molecule_chembl_id": "CHEMBL304087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.47", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Merimepodib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838863", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838863, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.043", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836548", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836548, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cleviprex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831533, "molecule_chembl_id": "CHEMBL448502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-ELEMENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836410", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASIMELTEON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836410, "molecule_chembl_id": "CHEMBL2103822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tasimelteon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831604", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACTITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831604, "molecule_chembl_id": "CHEMBL1661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.31", "alogp": "-5.76", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "D-LACTITOL MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838855", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838855, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lovastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1819700.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830909", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830909, "molecule_chembl_id": "CHEMBL196945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.17", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITANAPRACED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836526", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOPERIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836526, "molecule_chembl_id": "CHEMBL14376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Iloperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835748", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTRIPTYLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835748, "molecule_chembl_id": "CHEMBL668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "protriptyline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831623", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831623, "molecule_chembl_id": "CHEMBL463165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.37", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EVODIAMINE (ISOEVODIAMINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831222", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831222, "molecule_chembl_id": "CHEMBL430405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-922500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831223", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINOCEMBRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831223, "molecule_chembl_id": "CHEMBL399910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PINOCEMBRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836099", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLOCYCLINE SULFOSALICYLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836099, "molecule_chembl_id": "CHEMBL261772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "695.06", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "meclocycline-sulfosalicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836100", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836100, "molecule_chembl_id": "CHEMBL1390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Medroxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831637", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831637, "molecule_chembl_id": "CHEMBL488755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAS-103 (DIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838663", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838663, "molecule_chembl_id": "CHEMBL1546414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.94", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E2RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835958", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHIONAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835958, "molecule_chembl_id": "CHEMBL1441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.25", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethionamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1784", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838753", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.27", "bao_label": "organism-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838753, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5370.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827842", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDEBENONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827842, "molecule_chembl_id": "CHEMBL252556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idebenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832454", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832454, "molecule_chembl_id": "CHEMBL1513845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-CARBOXY-4-HYDROXYPHENYLGLYCINE-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831317", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GS 6201", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831317, "molecule_chembl_id": "CHEMBL260933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.43", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GS-6201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836364", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836364, "molecule_chembl_id": "CHEMBL2442630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.20", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tandospirone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.183", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CNc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836520", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836520, "molecule_chembl_id": "CHEMBL105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "-1.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mitomycin C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831209", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZACITIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831209, "molecule_chembl_id": "CHEMBL1489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZACITIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831216", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPEXIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831216, "molecule_chembl_id": "CHEMBL1377408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPEXIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836090", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUBIPROSTONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836090, "molecule_chembl_id": "CHEMBL1201134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.47", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lubiprostone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838658", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE MAY MAKE WORSE?", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838658, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1Rcat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.064", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831627, "molecule_chembl_id": "CHEMBL477936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.36", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 74859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831219", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLAVOXATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831219, "molecule_chembl_id": "CHEMBL1200875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.93", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLAVOXATE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831499", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831499, "molecule_chembl_id": "CHEMBL471728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.61", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GANT-61"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830913", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830913, "molecule_chembl_id": "CHEMBL556353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.31", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIFITHRIN-ALPHA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830917", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830917, "molecule_chembl_id": "CHEMBL370152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.34", "alogp": "6.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NTZDPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831638", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAVORIXAFOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831638, "molecule_chembl_id": "CHEMBL518924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MAVORIXAFOR (TRIHYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836420", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESLICARBAZEPINE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836420, "molecule_chembl_id": "CHEMBL87992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eslicarbazepine Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.123", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836423", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836423, "molecule_chembl_id": "CHEMBL1589793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.58", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "brilliant-green"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02153", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838985", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838985, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "K00029"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2290.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838986", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838986, "molecule_chembl_id": "CHEMBL4303783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1784.16", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "RapaLink-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@H](C)C[C@H]2CC[C@H](OCCOCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5ccc6oc(N)nc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\\C=C/C=C\\1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836357", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVIBACTAM SODIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836357, "molecule_chembl_id": "CHEMBL2107817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.23", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Avibactam sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2969", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838853", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838853, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lovastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "236.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836376", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPRAZINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836376, "molecule_chembl_id": "CHEMBL1885437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eprazinone 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2949", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836380", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836380, "molecule_chembl_id": "CHEMBL1200851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.29", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "homatropine-methylbromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03421", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830901", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHYNODREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830901, "molecule_chembl_id": "CHEMBL1387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORETHYNODREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831294", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831294, "molecule_chembl_id": "CHEMBL257591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.73", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-120596"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831710", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CISAPRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831710, "molecule_chembl_id": "CHEMBL1729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.95", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CISAPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831298", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITENPYRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831298, "molecule_chembl_id": "CHEMBL259728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.72", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITENPYRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838661", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE MAY MAKE WORSE?", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838661, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1Rcat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.93", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838710", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838710, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.91", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830928", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830928, "molecule_chembl_id": "CHEMBL453087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.66", "alogp": "-8.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "STREPTOMYCIN SULFATE [5MM; 10% AQ DMSO + 5MM ETHANOLAMINE]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836394", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINACIDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836394, "molecule_chembl_id": "CHEMBL1159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pinacidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1708", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N/C(=N\\C#N)Nc1ccncc1)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831111", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831111, "molecule_chembl_id": "CHEMBL229008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.58", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-566419"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831511", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOXOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831511, "molecule_chembl_id": "CHEMBL442687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.17", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2cc(O)ccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831519", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831519, "molecule_chembl_id": "CHEMBL1200590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MECLIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833607", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833607, "molecule_chembl_id": "CHEMBL1082832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.30", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-K-8644-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832895", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARLITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832895, "molecule_chembl_id": "CHEMBL2103842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.95", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VARLITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828920", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828920, "molecule_chembl_id": "CHEMBL4303277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "822.05", "alogp": "4.64", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tacrolimus Monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828995", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828995, "molecule_chembl_id": "CHEMBL1201061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levalbuterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828271", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828271, "molecule_chembl_id": "CHEMBL3561935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.46", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flunixin meglumine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)C(O)C(O)C(O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839059", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-863233", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839059, "molecule_chembl_id": "CHEMBL3544944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.72", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "XL413"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(C2CCCN2)nc2c1oc1ccc(Cl)cc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827413", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827413, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838837", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "PARTIAL ACTIVE CC50==IC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838837, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.175", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827186", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827186, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Digitoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "230.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827782", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYBURIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827782, "molecule_chembl_id": "CHEMBL472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.01", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glibenclamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827920", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827920, "molecule_chembl_id": "CHEMBL1557167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Norcyclobenzaprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1158", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832533, "molecule_chembl_id": "CHEMBL1604618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.36", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML167"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827350", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827350, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839000", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMCAZOLE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839000, "molecule_chembl_id": "CHEMBL275707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.47", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rimcazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "222.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828040", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NANDROLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828040, "molecule_chembl_id": "CHEMBL757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nandrolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4819", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831940", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZALKONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831940, "molecule_chembl_id": "CHEMBL502109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.02", "alogp": "6.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZALKONIUM CHLORIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832098", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SINEFUNGIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832098, "molecule_chembl_id": "CHEMBL1214186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.39", "alogp": "-2.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SINEFUNGIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839048", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839048, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tomivosertib (eFT-508)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.065", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827399", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303829", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827399, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral mRNA (RdRp and N) in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832103", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURMORPHAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832103, "molecule_chembl_id": "CHEMBL1221984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.64", "alogp": "6.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PURMORPHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828314", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROMIDIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828314, "molecule_chembl_id": "CHEMBL311350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Piromidic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06078", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832111", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832111, "molecule_chembl_id": "CHEMBL1229592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.98", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828327", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828327, "molecule_chembl_id": "CHEMBL1240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.40", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propantheline bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829006", "_score": 6.4147806, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829006, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827401", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827401, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832957", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOZADENANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832957, "molecule_chembl_id": "CHEMBL2105747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.51", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TOZADENANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833888", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZACAMENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833888, "molecule_chembl_id": "CHEMBL2104261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.37", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-(4-METHYLBENZYLIDENE)CAMPHOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827403", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303831", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827403, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of SARS-CoV-2 infection by time of addition assay, with 50uM hydroxychloroquine administered at -2hrs, 0 hrs and 2hrs post-infection", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832466", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832466, "molecule_chembl_id": "CHEMBL1518173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2cc(C3=NCCN3)ncc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833406", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAVOXERTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833406, "molecule_chembl_id": "CHEMBL3544964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RAVOXERTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829879", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTALARMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829879, "molecule_chembl_id": "CHEMBL296641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.56", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ANTALARMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832626", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832626, "molecule_chembl_id": "CHEMBL1697690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-177864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827169", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.92", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827169, "molecule_chembl_id": "CHEMBL196666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "537.66", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SB-616234-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1200.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827798", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIDOVUDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827798, "molecule_chembl_id": "CHEMBL129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zidovudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05623", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827820", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFLUOREX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827820, "molecule_chembl_id": "CHEMBL400599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.37", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benfluorex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0439", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832433", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832433, "molecule_chembl_id": "CHEMBL1484857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCCINYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827808", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827808, "molecule_chembl_id": "CHEMBL1200427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Maprotiline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1358", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957121", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALISKIREN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957121, "molecule_chembl_id": "CHEMBL1639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "551.77", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALISKIREN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZYL ISOTHIOCYANATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957126, "molecule_chembl_id": "CHEMBL55285", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYL ISOTHIOCYANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957052", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957052, "molecule_chembl_id": "CHEMBL1234429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.50", "alogp": "3.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MP7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963737", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPIRONOLACTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963737, "molecule_chembl_id": "CHEMBL1393", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPIRONOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957136", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957136, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OLCEGEPANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957721", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUCAPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957721, "molecule_chembl_id": "CHEMBL1173055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.37", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RUCAPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962421", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962421, "molecule_chembl_id": "CHEMBL4303699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Sodium orthovanadate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SARCOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962000, "molecule_chembl_id": "CHEMBL304383", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "sarcosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8543", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959006", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959006, "molecule_chembl_id": "CHEMBL61593", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957534", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPHENIRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957534, "molecule_chembl_id": "CHEMBL505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.80", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(-)-chlorpheniramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957920", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957920, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "dextrothyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962052", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-547", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962052, "molecule_chembl_id": "CHEMBL384304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958126, "molecule_chembl_id": "CHEMBL4545925", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.16", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLAVULANIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1/C(=C\\CO)OC2CC(=O)N21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958049", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958049, "molecule_chembl_id": "CHEMBL6853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.20", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957628", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957628, "molecule_chembl_id": "CHEMBL1421016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.46", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-152,804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957024", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957024, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LODOXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957026", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYPROHEPTADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957026, "molecule_chembl_id": "CHEMBL516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROHEPTADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957028", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHACYCLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957028, "molecule_chembl_id": "CHEMBL249837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.42", "alogp": "-0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "METHACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963458", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963458, "molecule_chembl_id": "CHEMBL1317124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.87", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-102895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WARFARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958855, "molecule_chembl_id": "CHEMBL1464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.33", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "WARFARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962388", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOYL PEROXIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962388, "molecule_chembl_id": "CHEMBL1200370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOYL PEROXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.951", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958857", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOETHARINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958857, "molecule_chembl_id": "CHEMBL1201153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOETHARINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962431", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADIPHENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962431, "molecule_chembl_id": "CHEMBL555654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.89", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADIPHENINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.244", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963364", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963364, "molecule_chembl_id": "CHEMBL98", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vorinostat (SAHA; MK0683)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958763", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DL-PENICILLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958763, "molecule_chembl_id": "CHEMBL13239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.21", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENICILLAMINE ETHANOLAMINE SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958765", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958765, "molecule_chembl_id": "CHEMBL1566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ACARBOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.083", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958970", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R,S)-AMPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958970, "molecule_chembl_id": "CHEMBL13378", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPA-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(O)c1CC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958971", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958971, "molecule_chembl_id": "CHEMBL454950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963583", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963583, "molecule_chembl_id": "CHEMBL4303518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.24", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "perchlozone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)NN=Cc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962113", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TABIMORELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962113, "molecule_chembl_id": "CHEMBL281764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.70", "alogp": "3.71", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "tabimorelin fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957643", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SR9009", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957643, "molecule_chembl_id": "CHEMBL1961796", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.95", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR9009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962243", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TBA-354", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962243, "molecule_chembl_id": "CHEMBL1630563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.35", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TBA-354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961775", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOXYQUIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961775, "molecule_chembl_id": "CHEMBL225164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOXYQUIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958995", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TULOBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958995, "molecule_chembl_id": "CHEMBL1256478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.20", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TULOBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963603", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963603, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OLTIPRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EUCATROPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959000, "molecule_chembl_id": "CHEMBL1618660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eucatropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962033", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962033, "molecule_chembl_id": "CHEMBL1579066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dithranol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cc3cccc(O)c3c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957402", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAZOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957402, "molecule_chembl_id": "CHEMBL2", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.41", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957448", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957448, "molecule_chembl_id": "CHEMBL3916849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.36", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX-912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964308", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.21", "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964308, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "620.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957604", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957604, "molecule_chembl_id": "CHEMBL3739699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959522", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959522, "molecule_chembl_id": "CHEMBL378642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "994.21", "alogp": "-3.04", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Atosiban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964127", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARDIOGENOL C", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964127, "molecule_chembl_id": "CHEMBL1241078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cardiogenol-c"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2nccc(NCCO)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964319", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964319, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964338", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964338, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nordihydroguaiaretic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958518", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958518, "molecule_chembl_id": "CHEMBL547193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.35", "alogp": "5.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665798"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964477, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956997", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELAIDIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956997, "molecule_chembl_id": "CHEMBL460657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.47", "alogp": "6.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962355", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962355, "molecule_chembl_id": "CHEMBL1317823", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.29", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH6809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.982", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957036", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957036, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ADAPALENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962221", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORANTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962221, "molecule_chembl_id": "CHEMBL274654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "orantinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957268", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957268, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELAIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961465", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961465, "molecule_chembl_id": "CHEMBL4303723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.37", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mivobulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1cc2c(c(N)n1)NC(c1ccccc1)=C(C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961162", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-1530", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961162, "molecule_chembl_id": "CHEMBL1980391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.79", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961409", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GADODIAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961409, "molecule_chembl_id": "CHEMBL1200346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.66", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Gadodiamide Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.114", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961572", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961572, "molecule_chembl_id": "CHEMBL375166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-C155858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961477, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loteprednol etabonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961479", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961479, "molecule_chembl_id": "CHEMBL4303417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-26576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccnc2OC[C@@H]2CCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959455", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959455, "molecule_chembl_id": "CHEMBL1256761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.08", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "palmitoylcarnitine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956484", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956484, "molecule_chembl_id": "CHEMBL321820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.62", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD123319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956657", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956657, "molecule_chembl_id": "CHEMBL600764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.80", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML348"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956659", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHOSPHORAMIDON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956659, "molecule_chembl_id": "CHEMBL479579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.51", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Phosphoramidon (Disodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NP(=O)(O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956678", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERTINDOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956678, "molecule_chembl_id": "CHEMBL12713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.95", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SERTINDOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956687", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956687, "molecule_chembl_id": "CHEMBL420311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.71", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EX-527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964134", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964134, "molecule_chembl_id": "CHEMBL235993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tegafur (FT-207; NSC 148958)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964220", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.70", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964220, "molecule_chembl_id": "CHEMBL1725120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MLS0315771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959496", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENCLONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959496, "molecule_chembl_id": "CHEMBL1256351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.64", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENCLONINE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958730", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958730, "molecule_chembl_id": "CHEMBL283053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "flucloxacillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963912", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LINDANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963912, "molecule_chembl_id": "CHEMBL15891", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.83", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINDANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.788", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958731", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLISTIMETHATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958731, "molecule_chembl_id": "CHEMBL1201441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 4, "image_file": "smallMolecule.svg", "compound_key": "COLISTIMETHATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958732", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958732, "molecule_chembl_id": "CHEMBL4303189", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.51", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-4059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963917", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963917, "molecule_chembl_id": "CHEMBL3182437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.49", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963340", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963340, "molecule_chembl_id": "CHEMBL1412614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.20", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyclocytidine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963343", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963343, "molecule_chembl_id": "CHEMBL440298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.39", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-556"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958624", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958624, "molecule_chembl_id": "CHEMBL1698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUPROPION"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964499", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964499, "molecule_chembl_id": "CHEMBL1725120", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MLS0315771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958754", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958754, "molecule_chembl_id": "CHEMBL1870961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.81", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clofedanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENACYL CHLORIDE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964502, "molecule_chembl_id": "CHEMBL105712", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "154.60", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENACYL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C(CCl)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963421", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESLORATADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963421, "molecule_chembl_id": "CHEMBL1172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.83", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESLORATIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958441", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958441, "molecule_chembl_id": "CHEMBL262079", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.45", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML017"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959531", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARENICLINE TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959531, "molecule_chembl_id": "CHEMBL2062259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.35", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Varenicline tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.979", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958443", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANOSINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958443, "molecule_chembl_id": "CHEMBL1233147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "523.18", "alogp": "-2.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "guanosine-5'-triphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963045", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963045, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etravirine (TMC125)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.461", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963047", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISEPAMICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963047, "molecule_chembl_id": "CHEMBL272080", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.61", "alogp": "-7.52", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Isepamicin sulphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.237", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958830", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFUROXIME AXETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958830, "molecule_chembl_id": "CHEMBL1095930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.48", "alogp": "-0.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefuroxime-axetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959586", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959586, "molecule_chembl_id": "CHEMBL292411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mandelic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957256", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHAZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957256, "molecule_chembl_id": "CHEMBL19", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methazolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958450", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GS-39783", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958450, "molecule_chembl_id": "CHEMBL392394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS 39783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961855, "molecule_chembl_id": "CHEMBL2178735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.49", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM201636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957434", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957434, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ixazomib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962001", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962001, "molecule_chembl_id": "CHEMBL561533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-25"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963456", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LITRONESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963456, "molecule_chembl_id": "CHEMBL2105661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.71", "alogp": "2.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Litronesib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.815", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958853", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958853, "molecule_chembl_id": "CHEMBL190561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NADIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.638", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957418", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957418, "molecule_chembl_id": "CHEMBL4544478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.42", "alogp": "5.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "G-749"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)c3c(=O)[nH]cc(Br)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962219", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962219, "molecule_chembl_id": "CHEMBL4303486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "112.13", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sorbic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC=CC=CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962026", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962026, "molecule_chembl_id": "CHEMBL1874407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alfadolone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.648", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962229", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBETOCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962229, "molecule_chembl_id": "CHEMBL3301668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "988.18", "alogp": "-2.50", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Carbetocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959649", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMAVELOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959649, "molecule_chembl_id": "CHEMBL4303525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.72", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Omaveloxolone (RTA-408)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963818", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963818, "molecule_chembl_id": "CHEMBL1435541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc2[nH]ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOXEPAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963824, "molecule_chembl_id": "CHEMBL33211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isoxepac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962143", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICHLORISONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962143, "molecule_chembl_id": "CHEMBL1385514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.38", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICHLORISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959660", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERIDOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959660, "molecule_chembl_id": "CHEMBL1511957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.90", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPERIDOLATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.167", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957549", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FILOREXANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957549, "molecule_chembl_id": "CHEMBL2107822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FILOREXANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959426", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959426, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GATIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963719", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963719, "molecule_chembl_id": "CHEMBL3094448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.33", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7004"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc2cc(C(=O)Nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963795", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963795, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.211", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963323", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963323, "molecule_chembl_id": "CHEMBL4303387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.30", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK-962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.248", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146218", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETABEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146218, "molecule_chembl_id": "CHEMBL31907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.57", "alogp": "7.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cetaben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150720", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOMATOSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150720, "molecule_chembl_id": "CHEMBL1823872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1637.91", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "somatostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150732", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150732, "molecule_chembl_id": "CHEMBL1515808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.38", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BE-2254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146122", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYROXAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146122, "molecule_chembl_id": "CHEMBL353581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "pyroxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1cccnc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959782", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOPERAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959782, "molecule_chembl_id": "CHEMBL507674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "645.68", "alogp": "-1.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOPERAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959900", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959900, "molecule_chembl_id": "CHEMBL483688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.02", "alogp": "2.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSB-603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960006", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACECAINIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960006, "molecule_chembl_id": "CHEMBL1256805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.83", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACECAINIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964288", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.32", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964288, "molecule_chembl_id": "CHEMBL4303361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.26", "alogp": "3.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NT157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "480.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959915", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959915, "molecule_chembl_id": "CHEMBL1204779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.40", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dodecyl-sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959917", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FTAXILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959917, "molecule_chembl_id": "CHEMBL1308252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.30", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FTAXILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.192", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964524", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964524, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "hemin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959918", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959918, "molecule_chembl_id": "CHEMBL2144069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ-628"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963121", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963121, "molecule_chembl_id": "CHEMBL263664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.85", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT128930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.982", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964062", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIAVERIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964062, "molecule_chembl_id": "CHEMBL19633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIAVERIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2cnc(N)nc2N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964364", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964364, "molecule_chembl_id": "CHEMBL571700", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.38", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylthiuram monosulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964198", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMENHYDRINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964198, "molecule_chembl_id": "CHEMBL1200406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.97", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DIMENHYDRINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960451", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960451, "molecule_chembl_id": "CHEMBL20377", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956423", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956423, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ENILURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956424", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERACILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956424, "molecule_chembl_id": "CHEMBL702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.56", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIPERACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955693", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIPOIC ACID, ALPHA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955693, "molecule_chembl_id": "CHEMBL33864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lipoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963717", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963717, "molecule_chembl_id": "CHEMBL4303210", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.31", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-T12-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.901", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(C(F)(F)F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960181", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960181, "molecule_chembl_id": "CHEMBL521582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.98", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NE-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960185", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960185, "molecule_chembl_id": "CHEMBL1996872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.44", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N;N-Bis(2-hydroxyethyl)dodecanamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)N(CCO)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960560", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960560, "molecule_chembl_id": "CHEMBL4303269", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.86", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPR120 modulator 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955784", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOSCAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955784, "molecule_chembl_id": "CHEMBL364713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.43", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Narcosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955787", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBOCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955787, "molecule_chembl_id": "CHEMBL396416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.20", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbocysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960572", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SARACATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960572, "molecule_chembl_id": "CHEMBL217092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.04", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Saracatinib (AZD0530)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964320", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964320, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961612", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961612, "molecule_chembl_id": "CHEMBL1368758", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.29", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JTE-013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961218", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANSHINONE I", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961218, "molecule_chembl_id": "CHEMBL363535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.29", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanshinone I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.398", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961511", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMDINOCILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961511, "molecule_chembl_id": "CHEMBL530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.43", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "amdinocillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829395", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCH-58261", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829395, "molecule_chembl_id": "CHEMBL17127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.37", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-58261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829403", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPINIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829403, "molecule_chembl_id": "CHEMBL1200411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROPINIROLE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829252", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829252, "molecule_chembl_id": "CHEMBL268229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPHA-METHYLHISTAMINE-DIHYDROBROMIDE-(R)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)Cc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835320", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROQUINIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835320, "molecule_chembl_id": "CHEMBL1906890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "hydroquinidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1882", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829163", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829163, "molecule_chembl_id": "CHEMBL8565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.36", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-1115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829472", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829472, "molecule_chembl_id": "CHEMBL1333097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VESAMICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828113", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MISOPROSTOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828113, "molecule_chembl_id": "CHEMBL606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.54", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Misoprostol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828114", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPENTOLATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828114, "molecule_chembl_id": "CHEMBL1200473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclopentolate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.136", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828035", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRONETALOLHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828035, "molecule_chembl_id": "CHEMBL1876082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.78", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pronethalol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8858", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc2ccccc2c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830003", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUCINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830003, "molecule_chembl_id": "CHEMBL291962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-LEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830407", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDOXUDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830407, "molecule_chembl_id": "CHEMBL318153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "-1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDOXUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829505", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRACLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829505, "molecule_chembl_id": "CHEMBL1200379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.57", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APRACLONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834208", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834208, "molecule_chembl_id": "CHEMBL4303413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.41", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALAZODINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833686", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833686, "molecule_chembl_id": "CHEMBL4303236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834855", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834855, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833894", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833894, "molecule_chembl_id": "CHEMBL2180727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.57", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGI-5198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829200", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829200, "molecule_chembl_id": "CHEMBL484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.19", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ADEFOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2CCOCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833833", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOPROST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833833, "molecule_chembl_id": "CHEMBL494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.49", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ILOPROST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829545", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829545, "molecule_chembl_id": "CHEMBL23094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.25", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2',3'-DIDEOXYADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828349", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAPENTIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828349, "molecule_chembl_id": "CHEMBL940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gabapentin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835267", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETAFENONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835267, "molecule_chembl_id": "CHEMBL1736151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etafenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828356", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828356, "molecule_chembl_id": "CHEMBL1725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.41", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Iopromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1229", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828072", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLINDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828072, "molecule_chembl_id": "CHEMBL1200419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.84", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Molindone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827863", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827863, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832569", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832569, "molecule_chembl_id": "CHEMBL1448044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.45", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOLAMINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834856", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834856, "molecule_chembl_id": "CHEMBL4303163", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "377.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBIPES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2ccc(C#N)cc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829575", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETOSTEARYL ALCOHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829575, "molecule_chembl_id": "CHEMBL24640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.50", "alogp": "6.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OCTADECAN-1-OL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828801", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBUTYNIN CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828801, "molecule_chembl_id": "CHEMBL1133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.96", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxybutynin chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833563", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833563, "molecule_chembl_id": "CHEMBL4060831", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ015666"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828896", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIARAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828896, "molecule_chembl_id": "CHEMBL538059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.31", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tiaramide Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04378", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835413", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXITRIPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835413, "molecule_chembl_id": "CHEMBL350221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-hydroxytryptophan (5-HTP)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830710", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830710, "molecule_chembl_id": "CHEMBL1257128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.53", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LISURIDE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835420", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEMETACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835420, "molecule_chembl_id": "CHEMBL189171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.83", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acemetacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830717", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXISYLYTE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830717, "molecule_chembl_id": "CHEMBL1256739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOXISYLYTE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835423", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOPHENAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835423, "molecule_chembl_id": "CHEMBL1085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.57", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "acetophenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835428", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR DIPIVOXIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835428, "molecule_chembl_id": "CHEMBL922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.48", "alogp": "2.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Adefovir dipivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835037", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBENZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835037, "molecule_chembl_id": "CHEMBL1625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxybenzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4514", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830527", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830527, "molecule_chembl_id": "CHEMBL1191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.34", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835039", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZAGREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835039, "molecule_chembl_id": "CHEMBL11662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ozagrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827875", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STANOZOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827875, "molecule_chembl_id": "CHEMBL2079587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Stanozolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4173", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828129", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NADIFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828129, "molecule_chembl_id": "CHEMBL363449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.38", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nadifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829430", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPROZIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829430, "molecule_chembl_id": "CHEMBL276568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFPROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829628", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IROSUSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829628, "molecule_chembl_id": "CHEMBL286738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IROSUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829632", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCHLORPERAZINE EDISYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829632, "molecule_chembl_id": "CHEMBL1201154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.15", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCHLORPERAZINE EDISYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834767", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "7.25 \u00b1 2.93", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834767, "molecule_chembl_id": "CHEMBL550495", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "373.91", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7250.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834667", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLOROACETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834667, "molecule_chembl_id": "CHEMBL13960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.94", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DICHLOROACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832845", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832845, "molecule_chembl_id": "CHEMBL2047943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPI-0479605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830502, "molecule_chembl_id": "CHEMBL333081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY288513"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NN(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834808", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834808, "molecule_chembl_id": "CHEMBL71191", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN AG 1296 (AG 1296)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2ncc(-c3ccccc3)nc2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835019", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835019, "molecule_chembl_id": "CHEMBL869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.14", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitrofural"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830409", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITRETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830409, "molecule_chembl_id": "CHEMBL1131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ACITRETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830123", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830123, "molecule_chembl_id": "CHEMBL65892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG14361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830136", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBANDRONATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830136, "molecule_chembl_id": "CHEMBL3989569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.23", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IBANDRONATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834201", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834201, "molecule_chembl_id": "CHEMBL4303437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.51", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829502, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830683", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTOCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830683, "molecule_chembl_id": "CHEMBL1295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.79", "alogp": "6.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BUTOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835396", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835396, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Candesartan cilexetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1602", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832586", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRANTEL PAMOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832586, "molecule_chembl_id": "CHEMBL1599768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "594.69", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRANTEL (PAMOATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829292", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERGOLIDE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829292, "molecule_chembl_id": "CHEMBL1275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERGOLIDE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833086", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMEGEPANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833086, "molecule_chembl_id": "CHEMBL2178422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "4.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RIMEGEPANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833788", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833788, "molecule_chembl_id": "CHEMBL4303281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU14R"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ncc[nH]2)Cc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828388", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828388, "molecule_chembl_id": "CHEMBL4303354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "885.10", "alogp": "2.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Acetyl spiramycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834057", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834057, "molecule_chembl_id": "CHEMBL378642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "994.21", "alogp": "-3.04", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ATOSIBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833969", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBENDAZOLE OXIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833969, "molecule_chembl_id": "CHEMBL1665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.34", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALBENDAZOLE OXIDE (RICOBENDAZOLE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[S+]([O-])c1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832251", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832251, "molecule_chembl_id": "CHEMBL1318939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.85", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOFYLLINE-CLOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828447", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILTIAZEM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828447, "molecule_chembl_id": "CHEMBL1697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.99", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diltiazem hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7261", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832276", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832276, "molecule_chembl_id": "CHEMBL1334465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.38", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-408124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827580", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827580, "molecule_chembl_id": "CHEMBL1318296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.25", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amprolium hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.006304", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ncc(C[n+]2ccccc2C)c(N)n1.Cl.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827581", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827581, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170465005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832162", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMITALDEHYDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832162, "molecule_chembl_id": "CHEMBL1235338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.43", "alogp": "5.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1-HEXADECANAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832170", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREHALOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832170, "molecule_chembl_id": "CHEMBL1236395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TREHALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827470", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827470, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838695", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE CURVE DOESN'T SATURATE AT 20 UM", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838695, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "223.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838948", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M3", "pchembl_value": "4.62", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303775", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL245", "activity_id": 18838948, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23988.33", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.47", "sei": "15.78", "bei": "16.36", "le": "0.30"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831272", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTEGRAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831272, "molecule_chembl_id": "CHEMBL254316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.42", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RALTEGRAVIR (MK-0518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832008", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832008, "molecule_chembl_id": "CHEMBL1201129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.21", "alogp": "-2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DECITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831469", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIBUTEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831469, "molecule_chembl_id": "CHEMBL1605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFTIBUTEN (DIHYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831475", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831475, "molecule_chembl_id": "CHEMBL1356199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "671.05", "alogp": "6.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-583340"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836352", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOSTIGMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836352, "molecule_chembl_id": "CHEMBL278020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.30", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Neostigmine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831481", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUCINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831481, "molecule_chembl_id": "CHEMBL450195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RUCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838980", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50 < IC50 BUT CC ONLY GOES TO 25%", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.70", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838980, "molecule_chembl_id": "CHEMBL4303785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1032.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PS3061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "199.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC1NC(=O)C(Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CCC#N)OC(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836353", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NETUPITANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836353, "molecule_chembl_id": "CHEMBL206253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.60", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Netupitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1649", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834301", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834301, "molecule_chembl_id": "CHEMBL4303273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.24", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANR-94"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2c(N)ncnc2n1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833449", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT-639", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833449, "molecule_chembl_id": "CHEMBL3590674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.91", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABT-639"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829596", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829596, "molecule_chembl_id": "CHEMBL25195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.28", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-27531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(-c2ccccc2)nnc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834299", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIOCAMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834299, "molecule_chembl_id": "CHEMBL1091024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "898.05", "alogp": "3.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MIDECAMYCIN ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831245", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESCITALOPRAM OXALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831245, "molecule_chembl_id": "CHEMBL1200322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESCITALOPRAM OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836125", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.14297566,0.076092025)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836125, "molecule_chembl_id": "CHEMBL1516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OLMESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833535", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833535, "molecule_chembl_id": "CHEMBL3939289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "5.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ONO-8130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(S(=O)(=O)N(CC(C)C)c2cc3c(cc2OCc2ccc(C(=O)O)cc2)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828144", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828144, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID17389545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3372", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830105", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830105, "molecule_chembl_id": "CHEMBL63902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "148.12", "alogp": "-1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-ASPARAGINE-N-HYDROXY"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)NO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834787", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "50.57 \u00b1 68.65", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834787, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BREXPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50570.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834146", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834146, "molecule_chembl_id": "CHEMBL4303254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.51", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTT-3033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834058", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834058, "molecule_chembl_id": "CHEMBL4303193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-670596"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(Cn2c3c(c4cc(F)cc(F)c42)CCCC3CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833845", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833845, "molecule_chembl_id": "CHEMBL105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "-1.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MITOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829090", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829090, "molecule_chembl_id": "CHEMBL1671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPRANOLOL HYDROCHLORIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829970", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829970, "molecule_chembl_id": "CHEMBL299749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.86", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-173212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833295", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833295, "molecule_chembl_id": "CHEMBL3251047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-225385"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828597", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZARDAVERINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828597, "molecule_chembl_id": "CHEMBL313842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.22", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zardaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827545", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTROPIPATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827545, "molecule_chembl_id": "CHEMBL1200980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.57", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Estropipate piperazine salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01357", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828750", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828750, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pidotimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828227", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828227, "molecule_chembl_id": "CHEMBL1164123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.60", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Latanoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1555", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@H](CC[C@@H](O)CCc2ccccc2)[C@@H](O)C[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828228", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMETREXED DISODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828228, "molecule_chembl_id": "CHEMBL2360464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.38", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pemetrexed disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832177", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACIGUAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832177, "molecule_chembl_id": "CHEMBL1236936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.71", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CINACIGUAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828336", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMEPRAZINE TARTRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828336, "molecule_chembl_id": "CHEMBL3989885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "747.00", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trimeprazine tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832591", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832591, "molecule_chembl_id": "CHEMBL1628690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-804598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832656", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOBOSARM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832656, "molecule_chembl_id": "CHEMBL1738889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MK-2866 (GTX-024)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828458", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-BENZYLAMINOPURINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828458, "molecule_chembl_id": "CHEMBL228862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aminopurine, 6-benzyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2ncnc3[nH]cnc23)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833747", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833747, "molecule_chembl_id": "CHEMBL4303167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1093.33", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CASPOFUNGIN (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@@H](O)[C@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830594", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830594, "molecule_chembl_id": "CHEMBL137648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "3'-FLUOROBENZYLSPIPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835307", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLICLAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835307, "molecule_chembl_id": "CHEMBL427216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gliclazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828835", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYDAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828835, "molecule_chembl_id": "CHEMBL1528134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.87", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benzydamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8809", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828150", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOTANE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828150, "molecule_chembl_id": "CHEMBL1670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.05", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SID170464927"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828847", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828847, "molecule_chembl_id": "CHEMBL269671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Artemisinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09655", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832909", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINOLFOSFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832909, "molecule_chembl_id": "CHEMBL2104114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.13", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(2-HYDROXYETHYL)-1-METHYLGUANIDINE DIHYDROGEN PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOP(=O)(O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833554", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALIPODECT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833554, "molecule_chembl_id": "CHEMBL3989972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.43", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BALIPODECT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833490", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833490, "molecule_chembl_id": "CHEMBL3747259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.62", "alogp": "3.33", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SALVIANOLIC ACID B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828054", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPTAZINOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828054, "molecule_chembl_id": "CHEMBL1477274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.82", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Meptazinol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2cccc(O)c2)CCCCN(C)C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828350", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828350, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Raloxifene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2847", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833910", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833910, "molecule_chembl_id": "CHEMBL4303302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.41", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTACOSANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832772, "molecule_chembl_id": "CHEMBL1951714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.77", "alogp": "10.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1-OCTACOSANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833922", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833922, "molecule_chembl_id": "CHEMBL305242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEDROXYPROGESTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827862", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIGENIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827862, "molecule_chembl_id": "CHEMBL1453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID56463036"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829164", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOXANTRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829164, "molecule_chembl_id": "CHEMBL1417019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MITOXANTRONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833074", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833074, "molecule_chembl_id": "CHEMBL2169919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "2.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ004777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829239", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARTIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829239, "molecule_chembl_id": "CHEMBL274323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.10", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-ASPARTIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829285", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUSCIMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829285, "molecule_chembl_id": "CHEMBL273481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MUSCIMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832580", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832580, "molecule_chembl_id": "CHEMBL1584055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.40", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SBE-13"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833950", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833950, "molecule_chembl_id": "CHEMBL367463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRANOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833786", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833786, "molecule_chembl_id": "CHEMBL157101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "KETOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828282", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828282, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diethylstilbestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829168", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829168, "molecule_chembl_id": "CHEMBL1314409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.75", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SELEGILINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)C(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834090", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCLIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834090, "molecule_chembl_id": "CHEMBL1201271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.04", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BUCLIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829391", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHRYSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829391, "molecule_chembl_id": "CHEMBL117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHRYSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833799", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833799, "molecule_chembl_id": "CHEMBL299879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.62", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NTNCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833001", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALFINAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833001, "molecule_chembl_id": "CHEMBL2107771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRIRALFINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830606", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARISOPRODOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830606, "molecule_chembl_id": "CHEMBL1233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARISOPRODOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)(COC(N)=O)COC(=O)NC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829245", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETANILIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829245, "molecule_chembl_id": "CHEMBL269644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETANILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833631", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APR-246", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833631, "molecule_chembl_id": "CHEMBL3186011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "199.25", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APR-246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1(CO)C(=O)C2CCN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830610", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830610, "molecule_chembl_id": "CHEMBL142009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-OX2-29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827304", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827304, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Osimertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.05", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145766", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOTIQUIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145766, "molecule_chembl_id": "CHEMBL2107405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.31", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isotiquimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1CCCC2C(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145977", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-665752", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145977, "molecule_chembl_id": "CHEMBL450786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "641.62", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PHA-665752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146098", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMBELLIFERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146098, "molecule_chembl_id": "CHEMBL51628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.14", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UMBELLIFERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(O)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145896", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145896, "molecule_chembl_id": "CHEMBL1628690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-804598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150458", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04447943", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150458, "molecule_chembl_id": "CHEMBL2179105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04447943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145757", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145757, "molecule_chembl_id": "CHEMBL179281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.54", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Glucagon Receptor Antagonist I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(C(C)(C)CC)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150562", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150562, "molecule_chembl_id": "CHEMBL1201081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.53", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE SODIUM SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150567", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETROZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150567, "molecule_chembl_id": "CHEMBL1444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.31", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Letrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146074", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALINAZID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146074, "molecule_chembl_id": "CHEMBL201761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salinazid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccccc1O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151884", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151884, "molecule_chembl_id": "CHEMBL1604848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.49", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-63808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(/C=C(\\C#N)c3nc4ccccc4s3)c(Oc3ccc(F)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147382", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPISETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147382, "molecule_chembl_id": "CHEMBL56564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tropisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147391", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELOTRISTAT ETIPRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147391, "molecule_chembl_id": "CHEMBL3348963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "754.17", "alogp": "4.99", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LX1606 hippurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146582", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACARBAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146582, "molecule_chembl_id": "CHEMBL476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.19", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dacarbazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146583", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVLOFEXIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146583, "molecule_chembl_id": "CHEMBL2107417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOFEXIDINE  HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151199", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORGESTIMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151199, "molecule_chembl_id": "CHEMBL1200934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTIMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151201", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151201, "molecule_chembl_id": "CHEMBL1625681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.35", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146700", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMIDUCID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146700, "molecule_chembl_id": "CHEMBL269259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1411.65", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "Rimiducid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCNC(=O)COc2cccc([C@@H](CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC)c3cc(OC)c(OC)c(OC)c3)c2)c1)c1cc(OC)c(OC)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146703", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146703, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GDC0941"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147411, "molecule_chembl_id": "CHEMBL4303348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glutathione-monoisopropyl-ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151784", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FROVATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151784, "molecule_chembl_id": "CHEMBL2138684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.41", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "frovatriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152790", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152790, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148287", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148287, "molecule_chembl_id": "CHEMBL4303176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.73", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOKU-81"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151919", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151919, "molecule_chembl_id": "CHEMBL258004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IRAK inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(NC2CCNCC2)nc(-c2cnc3ccccn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145851", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145851, "molecule_chembl_id": "CHEMBL90769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.35", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-AQC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145852", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145852, "molecule_chembl_id": "CHEMBL3752910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.49", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NVP-BHG712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145838", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145838, "molecule_chembl_id": "CHEMBL1222381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISX-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CC1)c1cc(-c2cccs2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151392", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151392, "molecule_chembl_id": "CHEMBL1624380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-04-5595"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)C(CCc1ccc(Cl)cc1)N(C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147738", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147738, "molecule_chembl_id": "CHEMBL1341792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.44", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-16020046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2[nH]nc3c2C(c2cccc(O)c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151148", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151148, "molecule_chembl_id": "CHEMBL4303479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.02", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Encorafenib (LGX818)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152989", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETHANECHOL CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152989, "molecule_chembl_id": "CHEMBL1768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETHANECHOL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C[N+](C)(C)C)OC(N)=O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146366", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESMILIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146366, "molecule_chembl_id": "CHEMBL26424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.41", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DPPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(Cc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151660", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANFACINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151660, "molecule_chembl_id": "CHEMBL862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.10", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANFACINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146124", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146124, "molecule_chembl_id": "CHEMBL1209431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN 238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150826", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150826, "molecule_chembl_id": "CHEMBL80713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146327", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146327, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COLCHICINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150635", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHINDENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150635, "molecule_chembl_id": "CHEMBL22108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dimetindene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146135", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146135, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cytisine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146685", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAURURSODIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146685, "molecule_chembl_id": "CHEMBL272427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.71", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tauroursodeoxy cholic_acid dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150789", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150789, "molecule_chembl_id": "CHEMBL596380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.16", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MNS (3;4-Methylenedioxy-alphanitrostyrene)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153245", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153245, "molecule_chembl_id": "CHEMBL2391504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spautin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154409", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GOLVATINIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154409, "molecule_chembl_id": "CHEMBL3039525", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "633.70", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Golvatinib (E7050)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150576", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150576, "molecule_chembl_id": "CHEMBL121626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.71", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154418", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154418, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154081", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFURESERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154081, "molecule_chembl_id": "CHEMBL2219422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Afuresertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150282", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHYLLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150282, "molecule_chembl_id": "CHEMBL221190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.35", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHYLLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151052", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151052, "molecule_chembl_id": "CHEMBL4303477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.47", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Butylscopolamine bromide (Scopolamine butylb"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151369", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151369, "molecule_chembl_id": "CHEMBL3087498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.58", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGC0946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151935", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFFRACTAIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151935, "molecule_chembl_id": "CHEMBL367741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.39", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFFRACTAIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961331", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THYMOL IODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961331, "molecule_chembl_id": "CHEMBL1482931", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "550.22", "alogp": "7.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Thymol iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.358", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956558", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK2256294", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956558, "molecule_chembl_id": "CHEMBL3818875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2256294A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961335", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMECAMTIV MECARBIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961335, "molecule_chembl_id": "CHEMBL1800955", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omecamtiv mecarbil (CK-1827452)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961233", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961233, "molecule_chembl_id": "CHEMBL410295", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.64", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-S-7003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n2c3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145997", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145997, "molecule_chembl_id": "CHEMBL1208647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.12", "alogp": "-1.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EDTMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145918", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145918, "molecule_chembl_id": "CHEMBL179242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145773", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANDROSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145773, "molecule_chembl_id": "CHEMBL87285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPIANDROSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DITIOCARB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150477, "molecule_chembl_id": "CHEMBL961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.28", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DITIOCARB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150940", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPROXEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150940, "molecule_chembl_id": "CHEMBL154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.26", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150482", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150482, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Linagliptin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146460", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146460, "molecule_chembl_id": "CHEMBL3927655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BQU57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2c1C(c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150966", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPHOSPHAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150966, "molecule_chembl_id": "CHEMBL88", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOPHOSPHAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(N(CCCl)CCCl)NCCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146290", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146290, "molecule_chembl_id": "CHEMBL1594610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.28", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-86002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150793", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150793, "molecule_chembl_id": "CHEMBL139367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Peramivir Trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150794", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150794, "molecule_chembl_id": "CHEMBL362148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.16", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Aminothiazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150801", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150801, "molecule_chembl_id": "CHEMBL1718", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALOXONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146302", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXSALEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146302, "molecule_chembl_id": "CHEMBL416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2cc2ccc(=O)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150971", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150971, "molecule_chembl_id": "CHEMBL4303416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dolutegravir (GSK1349572)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146471", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146471, "molecule_chembl_id": "CHEMBL246078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-1485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1F)N1CCOc2c(N3CCNCC3)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151146", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151146, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Grazoprevir hydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146644", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFACLOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146644, "molecule_chembl_id": "CHEMBL680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.81", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246884"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146646", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OGLEMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146646, "molecule_chembl_id": "CHEMBL4297520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.31", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Oglemilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146647", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146647, "molecule_chembl_id": "CHEMBL7568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.97", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "QUINACRINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152035", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152035, "molecule_chembl_id": "CHEMBL1256645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.25", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-23390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147624", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-42165279", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147624, "molecule_chembl_id": "CHEMBL4297294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.81", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-42165279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147534", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147534, "molecule_chembl_id": "CHEMBL1357656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.22", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetylglycyl-D-glutamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147625", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147625, "molecule_chembl_id": "CHEMBL122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rofecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147627, "molecule_chembl_id": "CHEMBL1474552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EQUILIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147451", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147451, "molecule_chembl_id": "CHEMBL4303316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAMI-633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147732", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDROCILAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147732, "molecule_chembl_id": "CHEMBL102358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.23", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(2-hydroxyethyl)-3-phenylacrylamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146888", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUSCIMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146888, "molecule_chembl_id": "CHEMBL273481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "muscimol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145501", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145501, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146663, "molecule_chembl_id": "CHEMBL71191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 1296 (AG 1296)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncc(-c3ccccc3)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151167", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILGOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151167, "molecule_chembl_id": "CHEMBL3301607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FILGOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151170", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151170, "molecule_chembl_id": "CHEMBL1200660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isosorbide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145958", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERPIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145958, "molecule_chembl_id": "CHEMBL1651998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.27", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERPENE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(O)CCC(C(C)(C)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151206", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APOCYNIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151206, "molecule_chembl_id": "CHEMBL346919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Apocynin (Acetovanillone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147155", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BLONANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147155, "molecule_chembl_id": "CHEMBL178803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.51", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Blonanserin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147157", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBEKACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147157, "molecule_chembl_id": "CHEMBL560976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.52", "alogp": "-5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DIBEKACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147873", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELDONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147873, "molecule_chembl_id": "CHEMBL2104708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meldonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)NCCC(=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146134", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146134, "molecule_chembl_id": "CHEMBL4303372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antineoplaston AS2-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149320", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149320, "molecule_chembl_id": "CHEMBL1076257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.21", "alogp": "-1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Fluoro-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146065", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEXTURASTAT A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146065, "molecule_chembl_id": "CHEMBL2179618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEXTURASTAT A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151882", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SNX 5422", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151882, "molecule_chembl_id": "CHEMBL1195136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.54", "alogp": "3.37", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04929113 (SNX-5422)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146568", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146568, "molecule_chembl_id": "CHEMBL3040629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LSM-1910"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC2C3CC(CN12)[C@@H]1CCCCN1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149917", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFAMIDIS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149917, "molecule_chembl_id": "CHEMBL2103837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAFAMIDIS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154087", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154087, "molecule_chembl_id": "CHEMBL4303704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.06", "alogp": "1.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Dioscin (Collettiside III)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151053", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FPL-55712", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151053, "molecule_chembl_id": "CHEMBL267475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.53", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPL-55712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCC(O)COc2ccc3c(=O)cc(C(=O)O)oc3c2CCC)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146868", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENOGEST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146868, "molecule_chembl_id": "CHEMBL1201864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.42", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dienogest\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153643", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153643, "molecule_chembl_id": "CHEMBL200027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.64", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151947", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICARAVEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151947, "molecule_chembl_id": "CHEMBL1705525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.32", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nicaraven"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151381", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECNIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151381, "molecule_chembl_id": "CHEMBL498847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SECNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151383", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151383, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORQUINALDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151845", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151845, "molecule_chembl_id": "CHEMBL4303237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.27", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-276"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CC(F)(F)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELBASVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152394, "molecule_chembl_id": "CHEMBL3039514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "882.03", "alogp": "8.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Elbasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151918", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151918, "molecule_chembl_id": "CHEMBL3739699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150410", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDISULAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150410, "molecule_chembl_id": "CHEMBL77517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "indisulam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145512", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145512, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145536", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145536, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145695", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145695, "molecule_chembl_id": "CHEMBL3356143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145696", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-MIDODRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145696, "molecule_chembl_id": "CHEMBL255026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIDODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956549", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956549, "molecule_chembl_id": "CHEMBL463978", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.97", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BVT 2733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961326", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961326, "molecule_chembl_id": "CHEMBL2134092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITX3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956551", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956551, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tomivosertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151917", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151917, "molecule_chembl_id": "CHEMBL2106574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.88", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapoxetine hydrochloride (Priligy)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151920", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPIDACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151920, "molecule_chembl_id": "CHEMBL130880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.27", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amiridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3c1CCC3)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147596", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYPRESSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147596, "molecule_chembl_id": "CHEMBL1200690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1056.24", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "LYPRESSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146668", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146668, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152540", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-9283", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152540, "molecule_chembl_id": "CHEMBL495727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.44", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT-9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147907", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTYLENETETRAZOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147907, "molecule_chembl_id": "CHEMBL116943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.17", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PENTYLENETETRAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCc2nnnn2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154591", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IDARUBICIN", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154591, "molecule_chembl_id": "CHEMBL1117", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "497.50", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ML069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153667", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENETOCLAX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153667, "molecule_chembl_id": "CHEMBL3137309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "868.46", "alogp": "8.66", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "VENETOCLAX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154383", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154383, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8170.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150096", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETANIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150096, "molecule_chembl_id": "CHEMBL47405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.18", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etanidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154598", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FIRSOCOSTAT", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154598, "molecule_chembl_id": "CHEMBL3407547", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "569.64", "alogp": "3.95", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ND-630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154103", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154103, "molecule_chembl_id": "CHEMBL3185133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.49", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "allylestrenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154600", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154600, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nelfinavir Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.66", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154527", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154527, "molecule_chembl_id": "CHEMBL4101890", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ6102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148410", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148410, "molecule_chembl_id": "CHEMBL397976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.12", "alogp": "-0.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "L-Pyroglutamic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145812", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMMETHRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145812, "molecule_chembl_id": "CHEMBL82298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.19", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "immethridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(Cc2cnc[nH]2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149036", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APOMORPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149036, "molecule_chembl_id": "CHEMBL1616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APOMORPHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153549", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153549, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149048", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFUROXIME AXETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149048, "molecule_chembl_id": "CHEMBL1095930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.48", "alogp": "-0.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefuroxime-axetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149049", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRIDINE LACTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149049, "molecule_chembl_id": "CHEMBL582355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHACRIDINE LACTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148753", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148753, "molecule_chembl_id": "CHEMBL14058", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CORTODOXONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148871", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148871, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153376", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP-724714", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153376, "molecule_chembl_id": "CHEMBL483321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CP-724714"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153354", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153354, "molecule_chembl_id": "CHEMBL262766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.33", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-58483"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153378", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153378, "molecule_chembl_id": "CHEMBL1908396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.55", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI-20227"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153518", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BGT-226", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153518, "molecule_chembl_id": "CHEMBL3545096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.61", "alogp": "4.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NVP-BGT226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151408", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDRAMANTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151408, "molecule_chembl_id": "CHEMBL2105062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDRAMANTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC3CC1CC(O)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146791", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROXOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146791, "molecule_chembl_id": "CHEMBL1454910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROXOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147105", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147105, "molecule_chembl_id": "CHEMBL243652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.20", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD096194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151610", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151610, "molecule_chembl_id": "CHEMBL453514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "843.06", "alogp": "2.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "SPIRAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145858", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AROFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145858, "molecule_chembl_id": "CHEMBL1598450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.74", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-(4-chlorophenyl)-1-propyl-3;7-dihydro-1H-purine-2;6-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc[nH]c2n(-c2ccc(Cl)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145864", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145864, "molecule_chembl_id": "CHEMBL282748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.65", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GGTI298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145878", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUCUBIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145878, "molecule_chembl_id": "CHEMBL514882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.33", "alogp": "-2.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AUCUBIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150165", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150165, "molecule_chembl_id": "CHEMBL1498001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.48", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KL-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152717", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDATRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152717, "molecule_chembl_id": "CHEMBL1256749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.67", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indatraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148217", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIPOTRIENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148217, "molecule_chembl_id": "CHEMBL1200666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcipotriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148224", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMMA-AMINOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148224, "molecule_chembl_id": "CHEMBL96", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "103.12", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "gamma-AMINOBUTYRIC_acid HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152731", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152731, "molecule_chembl_id": "CHEMBL2143829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.35", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-466722"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148229", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE VALERATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148229, "molecule_chembl_id": "CHEMBL1200562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.58", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152734", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152734, "molecule_chembl_id": "CHEMBL1473875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlorcyclizine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148232", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148232, "molecule_chembl_id": "CHEMBL472212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.51", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF 431396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152803", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152803, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORATADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152807", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-7706621", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152807, "molecule_chembl_id": "CHEMBL191003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-7706621"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152746", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAROGLITAZAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152746, "molecule_chembl_id": "CHEMBL4297530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Saroglitazar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153013", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERINURAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153013, "molecule_chembl_id": "CHEMBL3707347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VERINURAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152906", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COSTUNOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152906, "molecule_chembl_id": "CHEMBL86416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.32", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "costunolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@@H]2/C=C(\\C)CC/C=C(\\C)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151732", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151732, "molecule_chembl_id": "CHEMBL545328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXPROPRANOLOL HYDROCHLORIDE [R(+)]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958645", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958645, "molecule_chembl_id": "CHEMBL99377", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.31", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-M-PDOT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC1CCc2cccc(OC)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959175", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPENZOLATE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959175, "molecule_chembl_id": "CHEMBL1401367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPENZOLATE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962169", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETORICOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962169, "molecule_chembl_id": "CHEMBL416146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.85", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etoricoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962653", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXANTEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962653, "molecule_chembl_id": "CHEMBL1240977", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.28", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXANTEL PAMOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958055", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958055, "molecule_chembl_id": "CHEMBL417727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962534", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHOLECALCIFEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962534, "molecule_chembl_id": "CHEMBL1042", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHOLECALCIFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962693", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK3207", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962693, "molecule_chembl_id": "CHEMBL1910936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.60", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-3207 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958094", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-ADRENALINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958094, "molecule_chembl_id": "CHEMBL42280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958269", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958269, "molecule_chembl_id": "CHEMBL1459140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexinhib20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958280", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958280, "molecule_chembl_id": "CHEMBL4532565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STROPHANTHIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148525", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEZAFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148525, "molecule_chembl_id": "CHEMBL264374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.83", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BEZAFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959616", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959616, "molecule_chembl_id": "CHEMBL3392011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.17", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sodium Danshensu"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958636", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSILYBIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958636, "molecule_chembl_id": "CHEMBL592676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Silymarin (Silybin B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150259", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150259, "molecule_chembl_id": "CHEMBL1313657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.09", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guanabenz"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NN=Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957344", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIAGABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957344, "molecule_chembl_id": "CHEMBL1027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.56", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tiagabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958068", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958068, "molecule_chembl_id": "CHEMBL1392142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.44", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-343866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958195", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958195, "molecule_chembl_id": "CHEMBL2269009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.66", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-231395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nnc(-c2ccccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962990", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHISOQUIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962990, "molecule_chembl_id": "CHEMBL1533364", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.85", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimethisoquin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957935", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957935, "molecule_chembl_id": "CHEMBL3393171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thienopyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOFENAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963000, "molecule_chembl_id": "CHEMBL1451633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.348", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958501", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRENALTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958501, "molecule_chembl_id": "CHEMBL1160714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.29", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRENALTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962541", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6-BENZYLAMINOPURINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962541, "molecule_chembl_id": "CHEMBL228862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-benzylaminopurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2ncnc3[nH]cnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958570", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALAGLITAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958570, "molecule_chembl_id": "CHEMBL2103991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.44", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Balaglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958585", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958585, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-487-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957569", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OZANIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957569, "molecule_chembl_id": "CHEMBL3707247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.47", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ozanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959360", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAZINDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959360, "molecule_chembl_id": "CHEMBL781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.75", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mazindol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962884", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARUMONAM SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962884, "molecule_chembl_id": "CHEMBL2104060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.37", "alogp": "-2.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "carumonam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958287", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTANEDIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958287, "molecule_chembl_id": "CHEMBL365809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "86.09", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTANEDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148746", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRINOTECAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148746, "molecule_chembl_id": "CHEMBL481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "586.69", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Irinotecan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148815", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARSENIC TRIOXIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148815, "molecule_chembl_id": "CHEMBL2362016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.68", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ARSENIC TRIOXIDE DIETHANOLAMINE SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O1[As]2O[As]3O[As]1O[As](O2)O3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152966", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152966, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLSTILBESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148108", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HETACILLIN POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148108, "molecule_chembl_id": "CHEMBL1201121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.57", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HETACILLIN POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152059", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPROLIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152059, "molecule_chembl_id": "CHEMBL855", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.40", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Triprolidine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151592", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151592, "molecule_chembl_id": "CHEMBL4571597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVONORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152070", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARECOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152070, "molecule_chembl_id": "CHEMBL7303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARECOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147091", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPIRACIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147091, "molecule_chembl_id": "CHEMBL65375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.13", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tipiracil (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148923", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESAGLITAZAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148923, "molecule_chembl_id": "CHEMBL282686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.47", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "tesaglitazar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153426", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153426, "molecule_chembl_id": "CHEMBL1224151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "E 2012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153536", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153536, "molecule_chembl_id": "CHEMBL1526242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METERGOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)CC21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153538", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153538, "molecule_chembl_id": "CHEMBL1336727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thiothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148942", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NS-398", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148942, "molecule_chembl_id": "CHEMBL7162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.36", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-398"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150030", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150030, "molecule_chembl_id": "CHEMBL3186656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.97", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-5274857"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150156", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIRABRESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150156, "molecule_chembl_id": "CHEMBL3581647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OTX015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154660", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154660, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150044", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150044, "molecule_chembl_id": "CHEMBL4303281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU14R"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ncc[nH]2)Cc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145870", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145870, "molecule_chembl_id": "CHEMBL294649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.38", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-56812"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145873", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145873, "molecule_chembl_id": "CHEMBL273807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.53", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS 1754"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148371", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148371, "molecule_chembl_id": "CHEMBL4303488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eact"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152125", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAROLUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152125, "molecule_chembl_id": "CHEMBL4297185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.85", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ODM-201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152127", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152127, "molecule_chembl_id": "CHEMBL1232398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "117.15", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Valine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147532", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147532, "molecule_chembl_id": "CHEMBL1328505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-1067700"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147533, "molecule_chembl_id": "CHEMBL373011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.81", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-779450"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147720", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEPEFRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147720, "molecule_chembl_id": "CHEMBL2105064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gepefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152050", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152050, "molecule_chembl_id": "CHEMBL377300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.38", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BRIVANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152056", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152056, "molecule_chembl_id": "CHEMBL483847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.32", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152149", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLOROPHEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152149, "molecule_chembl_id": "CHEMBL33845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICHLOROPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152156", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152156, "molecule_chembl_id": "CHEMBL9871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.21", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STK441461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151961", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151961, "molecule_chembl_id": "CHEMBL247471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.95", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS 299897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1ccc(F)cc1CCCC(=O)O)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152984", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152984, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147457", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147457, "molecule_chembl_id": "CHEMBL3985592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "5.18", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CNX-2006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(NC4CN(CCF)C4)cc3OC)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147733", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147733, "molecule_chembl_id": "CHEMBL1234916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-acetyl-L-serine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151587", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIRAMESINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151587, "molecule_chembl_id": "CHEMBL61479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.59", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Siramesine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147563", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147563, "molecule_chembl_id": "CHEMBL1235103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.43", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PPY-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151400", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151400, "molecule_chembl_id": "CHEMBL1270331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.11", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CaMKII-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958289", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958289, "molecule_chembl_id": "CHEMBL158578", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "135.21", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-phenyl-propylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962407", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962407, "molecule_chembl_id": "CHEMBL4303407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.06", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Titanocene dichloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.754", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957061", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957061, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957813", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ODANACATIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957813, "molecule_chembl_id": "CHEMBL481611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.57", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ODANACATIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957396", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957396, "molecule_chembl_id": "CHEMBL3040440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PND-1186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963107", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963107, "molecule_chembl_id": "CHEMBL4303191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.53", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "compound-58112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CN2C[Si](C)(C)O[Si](C)(C)C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962674", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962674, "molecule_chembl_id": "CHEMBL556667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.67", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0364770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961674", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961674, "molecule_chembl_id": "CHEMBL478306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FH1(BRD-K4477)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962159", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LXR-623", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962159, "molecule_chembl_id": "CHEMBL456237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.78", "alogp": "6.70", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "LXR-623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963098", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963098, "molecule_chembl_id": "CHEMBL1970071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.45", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-5541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960444", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRX-08066", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960444, "molecule_chembl_id": "CHEMBL4297322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.97", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRX-08066 Maleic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957391", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957391, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SOTRASTAURIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955636", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955636, "molecule_chembl_id": "CHEMBL4542250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.35", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methiopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961996", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LURASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961996, "molecule_chembl_id": "CHEMBL1615372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.15", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lurasidone HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.714", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963868", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963868, "molecule_chembl_id": "CHEMBL4303152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.24", "alogp": "-2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Guanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.179", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962330", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962330, "molecule_chembl_id": "CHEMBL345768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "128.16", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-THIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.864", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957400", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957400, "molecule_chembl_id": "CHEMBL255787", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 740003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959169", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959169, "molecule_chembl_id": "CHEMBL2361572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.94", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tianeptine (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(NCCCCCCC(=O)[O-])c2ccc(Cl)cc2S1(=O)=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957821", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROXITHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957821, "molecule_chembl_id": "CHEMBL1214185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "837.06", "alogp": "2.21", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ROXITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957738", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957738, "molecule_chembl_id": "CHEMBL4303358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1007.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "oxytocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962511", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LERISETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962511, "molecule_chembl_id": "CHEMBL56900", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.39", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lerisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963890", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOCARBOXAZID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963890, "molecule_chembl_id": "CHEMBL1201168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.25", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isocarboxazid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NNCc2ccccc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959188", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959188, "molecule_chembl_id": "CHEMBL4303211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.44", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958164", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958164, "molecule_chembl_id": "CHEMBL1255648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.29", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX546"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963896", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUVELISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963896, "molecule_chembl_id": "CHEMBL3039502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Duvelisib (IPI-145; INK1197)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147205", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147205, "molecule_chembl_id": "CHEMBL470584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.32", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zilpaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151849", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151849, "molecule_chembl_id": "CHEMBL3039312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.61", "alogp": "-8.42", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "AMIKACIN HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956977", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYQUINOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956977, "molecule_chembl_id": "CHEMBL310555", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956990", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAZARTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956990, "molecule_chembl_id": "CHEMBL3787344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nazartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960125", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960125, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVONORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961179", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961179, "molecule_chembl_id": "CHEMBL1474701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INCA-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956292", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISORHAMNETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956292, "molecule_chembl_id": "CHEMBL379064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.26", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISORHAMNETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960108", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960108, "molecule_chembl_id": "CHEMBL399251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.48", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Trityl-L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956536", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-06840003", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956536, "molecule_chembl_id": "CHEMBL4086143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.21", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-06840003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961107", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZIBOTENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961107, "molecule_chembl_id": "CHEMBL1628688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.44", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Zibotentan (ZD4054)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960888", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PINOMETOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960888, "molecule_chembl_id": "CHEMBL3414626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "3.32", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Pinometostat (EPZ5676)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09719", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145555", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLODIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145555, "molecule_chembl_id": "CHEMBL1491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961581", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961581, "molecule_chembl_id": "CHEMBL262766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.33", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-58483"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956163", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956163, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956188", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956188, "molecule_chembl_id": "CHEMBL368427", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACHP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956308", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956308, "molecule_chembl_id": "CHEMBL45177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-419259"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961084", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961084, "molecule_chembl_id": "CHEMBL543741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMY-7378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152599", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAMODENOSON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152599, "molecule_chembl_id": "CHEMBL431733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.74", "alogp": "1.06", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "2-Cl-IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148446", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148446, "molecule_chembl_id": "CHEMBL4303494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1526.77", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Linaclotide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)NC([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148367", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148367, "molecule_chembl_id": "CHEMBL2047943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPI-0479605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148105", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148105, "molecule_chembl_id": "CHEMBL483091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Isopropylisothiourea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)SC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152627, "molecule_chembl_id": "CHEMBL561533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-25"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154422", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154422, "molecule_chembl_id": "CHEMBL2074689", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "637.00", "alogp": "5.21", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LY335979 (Zosuquidar trihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9110.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150290", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYSCION", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150290, "molecule_chembl_id": "CHEMBL42624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rheochrysidin (Physcione)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147363", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147363, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENTACAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146768", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146768, "molecule_chembl_id": "CHEMBL268490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-alpha-methylhistamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151216", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECABAPIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151216, "molecule_chembl_id": "CHEMBL2104348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ecabamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151308", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151308, "molecule_chembl_id": "CHEMBL1628565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY344864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146805", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146805, "molecule_chembl_id": "CHEMBL1413406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMPH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151311", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151311, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tamibarotene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151312", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELIFLAPON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151312, "molecule_chembl_id": "CHEMBL88712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "veliflapon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146742", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-203580", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146742, "molecule_chembl_id": "CHEMBL10", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 203580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151689", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOZOPRAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151689, "molecule_chembl_id": "CHEMBL1276663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.54", "alogp": "-2.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefozopran (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151473", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151473, "molecule_chembl_id": "CHEMBL1315939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETODOLAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146746", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146746, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "RITONAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147346", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147346, "molecule_chembl_id": "CHEMBL3990276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Talc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147355", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147355, "molecule_chembl_id": "CHEMBL1397270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.25", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-08-2750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147360", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGP-53353", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147360, "molecule_chembl_id": "CHEMBL7939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-53353"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146960", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUBEROHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146960, "molecule_chembl_id": "CHEMBL320497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SBHA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)NO)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146424", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146424, "molecule_chembl_id": "CHEMBL399021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.59", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP-ADW742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](CN2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151030", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151030, "molecule_chembl_id": "CHEMBL109037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.19", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Hydroxy-DL-DOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1cc(O)c(O)cc1O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151031", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151031, "molecule_chembl_id": "CHEMBL23588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.23", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146530", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146530, "molecule_chembl_id": "CHEMBL192254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NM107; 2'-C-methylcytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(O)C(O)C(CO)OC1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151458", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOXAGLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151458, "molecule_chembl_id": "CHEMBL1201291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1268.88", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ioxaglic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150928", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150928, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etravirine (TMC125)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151549", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151549, "molecule_chembl_id": "CHEMBL560537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.40", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151554", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROPIRIMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151554, "molecule_chembl_id": "CHEMBL37387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.10", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROPIRIMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c(Br)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147077", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147077, "molecule_chembl_id": "CHEMBL1526024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.32", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Faropenem sodium hemipentahydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146881", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146881, "molecule_chembl_id": "CHEMBL1590048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCA-4248"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151385", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVANS BLUE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151385, "molecule_chembl_id": "CHEMBL1015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "872.89", "alogp": "6.67", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "EVANS BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151388", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151388, "molecule_chembl_id": "CHEMBL288114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.12", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146887", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146887, "molecule_chembl_id": "CHEMBL1230714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K02288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147015, "molecule_chembl_id": "CHEMBL3787231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.52", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XD-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151782", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEDAQUILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151782, "molecule_chembl_id": "CHEMBL376488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.52", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BEDAQUILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147539", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPIDIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147539, "molecule_chembl_id": "CHEMBL345124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propidium-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[I-].[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151804", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRIVASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151804, "molecule_chembl_id": "CHEMBL1224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acrivastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151807", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151807, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ezetimibe\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151813", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151813, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALOPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145970", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145970, "molecule_chembl_id": "CHEMBL556353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.31", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pifithrin-alpha"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146853", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146853, "molecule_chembl_id": "CHEMBL4303146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "xilobam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)N=C1CCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146377", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146377, "molecule_chembl_id": "CHEMBL2164551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD9272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(F)cc(-c2nc(-c3ccc(F)cn3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146378", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146378, "molecule_chembl_id": "CHEMBL407717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5&beta;-pregnane-3,20-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146379", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIREMADLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146379, "molecule_chembl_id": "CHEMBL3653256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.42", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "HDM201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152023", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ULIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152023, "molecule_chembl_id": "CHEMBL345937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.39", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ulifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151786", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151786, "molecule_chembl_id": "CHEMBL4303464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.41", "alogp": "-0.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Phlorizin (Phloridzin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147293", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147293, "molecule_chembl_id": "CHEMBL4082756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.36", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FTBMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2nc(Cc3cc(F)cc(C(F)(F)F)c3)nc2C)ccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152048", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152048, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147302", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMOXIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147302, "molecule_chembl_id": "CHEMBL2051959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.82", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etomoxir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146439", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146439, "molecule_chembl_id": "CHEMBL4303469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.76", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-26314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)NCc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147306", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147306, "molecule_chembl_id": "CHEMBL1609430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "83.52", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "methoxyamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962974", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYL AMINOSALICYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962974, "molecule_chembl_id": "CHEMBL1200868", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYL AMINOSALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.104", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Oc2ccccc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958374", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958374, "molecule_chembl_id": "CHEMBL1370317", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.30", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-306970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956636", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956636, "molecule_chembl_id": "CHEMBL1213603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.30", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiamet G"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPLIVANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955663, "molecule_chembl_id": "CHEMBL257704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.39", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Eplivanserin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955553", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TORCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955553, "molecule_chembl_id": "CHEMBL554563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.22", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torcitabine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961118", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961118, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxypurinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960775", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TECOVIRIMAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960775, "molecule_chembl_id": "CHEMBL1257073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tecovirimat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956001", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956001, "molecule_chembl_id": "CHEMBL1886408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.30", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Felbinac ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959270", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENCIPRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959270, "molecule_chembl_id": "CHEMBL101284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enciprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955521", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955521, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Agomelatine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964431", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANITIOLIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964431, "molecule_chembl_id": "CHEMBL1380480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VANITIOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=S)N2CCOCC2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961148", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961148, "molecule_chembl_id": "CHEMBL6705", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-aminobenzenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147742", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147742, "molecule_chembl_id": "CHEMBL1413176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFENAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960612", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPYRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960612, "molecule_chembl_id": "CHEMBL1165011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.25", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ampyrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.486", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955844", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955844, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Neflamapimod\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956633", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956633, "molecule_chembl_id": "CHEMBL426560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.67", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-2216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964432", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964432, "molecule_chembl_id": "CHEMBL1161936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxypyridine-disulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964441", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964441, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960350", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960350, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960303", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DINACICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960303, "molecule_chembl_id": "CHEMBL2103840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.50", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dinaciclib (SCH727965)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961549", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLASCOTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961549, "molecule_chembl_id": "CHEMBL3590187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clascoterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955928", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955928, "molecule_chembl_id": "CHEMBL156592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.39", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danofloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "147.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960202", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOTOLIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960202, "molecule_chembl_id": "CHEMBL3301618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.61", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Motolimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148030", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-406", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148030, "molecule_chembl_id": "CHEMBL475251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.46", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R406(free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153301", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANETESPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153301, "molecule_chembl_id": "CHEMBL2103879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ganetespib (STA-9090)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152700", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152700, "molecule_chembl_id": "CHEMBL3613749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.03", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2830371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150281", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLINOSITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150281, "molecule_chembl_id": "CHEMBL493737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.18", "alogp": "-3.18", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "D-(+)-Pinitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150199", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150199, "molecule_chembl_id": "CHEMBL66998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.28", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NSC5844"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(NCCNc3ccnc4cc(Cl)ccc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150203", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTRIAXONE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150203, "molecule_chembl_id": "CHEMBL3183968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "652.60", "alogp": "-1.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFTRIAXONE SODIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148212", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148212, "molecule_chembl_id": "CHEMBL122413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.75", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-366791"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154291", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.19", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154291, "molecule_chembl_id": "CHEMBL1301049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.09", "alogp": "5.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PB49673382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6420.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154488", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154488, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOCARBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3080.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154565", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154565, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149705", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URB-597", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149705, "molecule_chembl_id": "CHEMBL184238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.41", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "URB597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960458", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROXYLENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960458, "molecule_chembl_id": "CHEMBL398440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.61", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXYLENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc(C)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959183", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAC-IBIPINABANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959183, "molecule_chembl_id": "CHEMBL158784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLV-319-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.598", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=N\\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959284", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959284, "molecule_chembl_id": "CHEMBL1765704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.49", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHA-68"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963889", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LYPRESSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963889, "molecule_chembl_id": "CHEMBL1200690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1056.24", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "lypressin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.312", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958161", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958161, "molecule_chembl_id": "CHEMBL3559801", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tBPC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(OC2CCCCC2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958061", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958061, "molecule_chembl_id": "CHEMBL1301049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "599.09", "alogp": "5.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PB49673382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960417", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIS(MALTOLATO)OXOVANADIUM(IV)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960417, "molecule_chembl_id": "CHEMBL286447", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.15", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "bis(maltolato)oxovanadium(IV)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957729", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LITHOCHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957729, "molecule_chembl_id": "CHEMBL1478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.58", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LITHOCHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957730", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DULOXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957730, "molecule_chembl_id": "CHEMBL1175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.42", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "duloxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960424", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960424, "molecule_chembl_id": "CHEMBL550495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.91", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957637", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957637, "molecule_chembl_id": "CHEMBL4536840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.40", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEFICITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960427", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METACETAMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960427, "molecule_chembl_id": "CHEMBL9419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METACETAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957939", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957939, "molecule_chembl_id": "CHEMBL3262896", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.31", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIBR189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960397", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960397, "molecule_chembl_id": "CHEMBL4303173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "835.09", "alogp": "2.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dirithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.814", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957701", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VISTUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957701, "molecule_chembl_id": "CHEMBL2336325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD2014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955906", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHACIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955906, "molecule_chembl_id": "CHEMBL1997663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.54", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Etacizin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955908", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955908, "molecule_chembl_id": "CHEMBL4303571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.44", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetrindol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955917", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOBETAXOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955917, "molecule_chembl_id": "CHEMBL1201274", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.43", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levobetaxolol hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962899", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962899, "molecule_chembl_id": "CHEMBL560895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.49", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNX-2112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958704", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958704, "molecule_chembl_id": "CHEMBL2322946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rac-BHFF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(O)(C(F)(F)F)C(=O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963179", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963179, "molecule_chembl_id": "CHEMBL4303467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-179"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960270", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AR-42", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960270, "molecule_chembl_id": "CHEMBL191482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AR-42 (HDAC-42)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957085", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOSTIGMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957085, "molecule_chembl_id": "CHEMBL1115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.22", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDOSTIGMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959724", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959724, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sofalcone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962097", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962097, "molecule_chembl_id": "CHEMBL541400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.33", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY 61-3606 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962273", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACOMITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962273, "molecule_chembl_id": "CHEMBL2110732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dacomitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962276", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962276, "molecule_chembl_id": "CHEMBL3609326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.40", "alogp": "5.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960509", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960509, "molecule_chembl_id": "CHEMBL3605456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960511", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960511, "molecule_chembl_id": "CHEMBL334491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.45", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Budipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962296", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962296, "molecule_chembl_id": "CHEMBL266834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DADLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.019", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961920", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961920, "molecule_chembl_id": "CHEMBL3916849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.36", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX-912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152441", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEHENIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152441, "molecule_chembl_id": "CHEMBL1173474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.59", "alogp": "7.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Docosanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955904", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METOPRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955904, "molecule_chembl_id": "CHEMBL264373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoprine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962303", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962303, "molecule_chembl_id": "CHEMBL4303728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.82", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-CPT-4a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](Cc1ccccc1)C(=O)O)c1sc2cc(F)ccc2c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962305", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METICRANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962305, "molecule_chembl_id": "CHEMBL1318341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METICRANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962537", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962537, "molecule_chembl_id": "CHEMBL35482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-98059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(=O)c3ccccc3o2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955631", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955631, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sotrastaurin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962095", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962095, "molecule_chembl_id": "CHEMBL507305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "635.15", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ansamitocin P-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\\C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960440", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960440, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib (BAY 73-4506)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962900", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZAFIRLUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962900, "molecule_chembl_id": "CHEMBL603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "575.69", "alogp": "5.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.559", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963285", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963285, "molecule_chembl_id": "CHEMBL1506885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "reversan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.627", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963177", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABAFUNGIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963177, "molecule_chembl_id": "CHEMBL3989547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.50", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Abafungin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.394", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957500", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEFLUNOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957500, "molecule_chembl_id": "CHEMBL960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEFLUNOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960731", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960731, "molecule_chembl_id": "CHEMBL465477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dizocilpine-(-) maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960734", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUSULFAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960734, "molecule_chembl_id": "CHEMBL820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUSULFAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.327", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959348", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959348, "molecule_chembl_id": "CHEMBL277150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.21", "alogp": "-1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "polyinosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956919", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DITIOCARB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956919, "molecule_chembl_id": "CHEMBL961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.28", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DITIOCARB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956889", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-4112", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956889, "molecule_chembl_id": "CHEMBL1961795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.90", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK4112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956892", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DARUNAVIR ETHANOLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956892, "molecule_chembl_id": "CHEMBL1201127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "593.74", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DARUNAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956960", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956960, "molecule_chembl_id": "CHEMBL291536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-334867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956862", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIMEPINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956862, "molecule_chembl_id": "CHEMBL3622533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "2.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CUDC-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961363", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETYL ALCOHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961363, "molecule_chembl_id": "CHEMBL706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.45", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1-Hexadecanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960875", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960875, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S1RA (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145553", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145553, "molecule_chembl_id": "CHEMBL3781751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960878", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960878, "molecule_chembl_id": "CHEMBL4303311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.39", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Basic Fuchsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960992", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOMEFOLATE CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960992, "molecule_chembl_id": "CHEMBL1615371", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.53", "alogp": "-0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Levomefolate (calcium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961317", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORBINALTORPHIMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961317, "molecule_chembl_id": "CHEMBL573214", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "661.80", "alogp": "3.82", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "nor-Binaltorphimine-dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960949", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04937319", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960949, "molecule_chembl_id": "CHEMBL2165615", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.44", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04937319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960970", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHALOTHIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960970, "molecule_chembl_id": "CHEMBL617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalothin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960943", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960943, "molecule_chembl_id": "CHEMBL3185782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.34", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kartogenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956195", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBERDOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956195, "molecule_chembl_id": "CHEMBL3989927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.51", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Iberdomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961386", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961386, "molecule_chembl_id": "CHEMBL401570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.43", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-525334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956122", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISACODYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956122, "molecule_chembl_id": "CHEMBL942", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BISACODYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956312", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956312, "molecule_chembl_id": "CHEMBL2177757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.70", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960911", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960911, "molecule_chembl_id": "CHEMBL1947204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.89", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AST-1306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.478", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960052", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960052, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tretazicar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145547", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DRONEDARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145547, "molecule_chembl_id": "CHEMBL1201729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.23", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone HCl (Multaq)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146118", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOTIFEN FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146118, "molecule_chembl_id": "CHEMBL1633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOTIFEN FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154325", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.81", "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154325, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15590.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152516", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEBRISOQUIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152516, "molecule_chembl_id": "CHEMBL169901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.24", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEBRISOQUIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N1CCc2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153285", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153285, "molecule_chembl_id": "CHEMBL271227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abiraterone Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153563", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153563, "molecule_chembl_id": "CHEMBL43185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.34", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PIPERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148796", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFONIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148796, "molecule_chembl_id": "CHEMBL2074922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.67", "alogp": "7.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "efonidipine-monoethanolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148803", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148803, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Lixivaptan\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149118", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAZOXANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149118, "molecule_chembl_id": "CHEMBL444186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Razoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153785", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WP 1066", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153785, "molecule_chembl_id": "CHEMBL1923234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "WP1066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150012", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150012, "molecule_chembl_id": "CHEMBL4522726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.91", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOBETASOL PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154466", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154466, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib (BAY 73-4506)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8310.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154102", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154102, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "thiethylperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154629", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154629, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146080", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAZOLINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146080, "molecule_chembl_id": "CHEMBL266540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HQN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147920", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147920, "molecule_chembl_id": "CHEMBL4303645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NAB-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154426", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METOPRINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154426, "molecule_chembl_id": "CHEMBL264373", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoprine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "120.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151818", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151818, "molecule_chembl_id": "CHEMBL266834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "0.23", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DADLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147225", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAGLIPTIN PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147225, "molecule_chembl_id": "CHEMBL1201174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAGLIPTIN PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148527", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148527, "molecule_chembl_id": "CHEMBL4303583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPH1 (BRD-6125)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148657", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148657, "molecule_chembl_id": "CHEMBL1529009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.69", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "zolantidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O.c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153813", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEDRATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153813, "molecule_chembl_id": "CHEMBL1287853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.69", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fedratinib (SAR302503; TG101348)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154212", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154212, "molecule_chembl_id": "CHEMBL376379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bemesetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154213", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154213, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bepridil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3860.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149712", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149712, "molecule_chembl_id": "CHEMBL279731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.16", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS 19755"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149715", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEFLUNOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149715, "molecule_chembl_id": "CHEMBL960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEFLUNOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154219", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.89", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154219, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12930.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149719", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149719, "molecule_chembl_id": "CHEMBL1077204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.54", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD534085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149888", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPELISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149888, "molecule_chembl_id": "CHEMBL2396661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alpelisib (BYL719)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147918", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIOQUINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147918, "molecule_chembl_id": "CHEMBL497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.50", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151904", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VIPADENANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151904, "molecule_chembl_id": "CHEMBL447664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vipadenant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146698", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOANTIPYRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146698, "molecule_chembl_id": "CHEMBL24132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.13", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Iodoantipyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(I)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152701", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152701, "molecule_chembl_id": "CHEMBL1229592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.98", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148526", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148526, "molecule_chembl_id": "CHEMBL1715107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.85", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUFLOMEDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151212", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151212, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALUNISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153855, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB-5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150609", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENAZOPYRIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150609, "molecule_chembl_id": "CHEMBL1201022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.71", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENAZOPYRIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150728", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150728, "molecule_chembl_id": "CHEMBL3752415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.86", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-323881"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146119", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146119, "molecule_chembl_id": "CHEMBL2419706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.59", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TNKS656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152890", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACLATASVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152890, "molecule_chembl_id": "CHEMBL2023898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "738.89", "alogp": "6.22", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daclatasvir (BMS-790052)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152146", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISBUFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152146, "molecule_chembl_id": "CHEMBL1453416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isbufylline\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145637", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145637, "molecule_chembl_id": "CHEMBL2134545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.51", "alogp": "5.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAG-956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145502, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150661", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTAXIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150661, "molecule_chembl_id": "CHEMBL1730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.47", "alogp": "-0.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFOTAXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145750", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145750, "molecule_chembl_id": "CHEMBL506999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.67", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org 12962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(N2CCNCC2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956360", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956360, "molecule_chembl_id": "CHEMBL2381517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD73954"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cccc(C(=O)NCCc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146995", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146995, "molecule_chembl_id": "CHEMBL1236602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-urocanic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151507", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151507, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pranlukast hydrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147657", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOZOLOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147657, "molecule_chembl_id": "CHEMBL810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.15", "alogp": "-2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc2c(C(N)=O)ncn2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147740", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147740, "molecule_chembl_id": "CHEMBL3291084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.29", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-23597-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152163", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152163, "molecule_chembl_id": "CHEMBL3094388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.41", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152249", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152249, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147982", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147982, "molecule_chembl_id": "CHEMBL632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexamethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152554", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152554, "molecule_chembl_id": "CHEMBL1628691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.27", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-839977"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148051", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYSTEAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148051, "molecule_chembl_id": "CHEMBL1256137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.61", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYSTEAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148053", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELCAGEPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148053, "molecule_chembl_id": "CHEMBL236593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.53", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TELCAGEPANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148054", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148054, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baricitinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152365", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTANTHRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152365, "molecule_chembl_id": "CHEMBL306946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tryptanthrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-n2c1nc1ccccc1c2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151176", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENESIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151176, "molecule_chembl_id": "CHEMBL229128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPHENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152764", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFLOQUALONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152764, "molecule_chembl_id": "CHEMBL2105918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.31", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Afloqualone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151185", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151185, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rilpivirine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146314", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146314, "molecule_chembl_id": "CHEMBL267373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.14", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150949", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150949, "molecule_chembl_id": "CHEMBL2021342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "0.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "tetrahydrofolic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150695", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELNACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150695, "molecule_chembl_id": "CHEMBL51934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VELNACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145849", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145849, "molecule_chembl_id": "CHEMBL535396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIMANTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)C12CC3CC(CC(C3)C1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145831", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLUPREDNATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145831, "molecule_chembl_id": "CHEMBL1201749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DIFLUPREDNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151932", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEDAQUILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151932, "molecule_chembl_id": "CHEMBL376488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.52", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bedaquiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147435", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147435, "molecule_chembl_id": "CHEMBL430112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.27", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGN-192403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C1C2CCC(C2)C1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151384", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPHNETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151384, "molecule_chembl_id": "CHEMBL244948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.14", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Daphnetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(O)c(O)c2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146056", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146056, "molecule_chembl_id": "CHEMBL191513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.28", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4,4'-Dimethoxybenzil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146057", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORANTRANILIPROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146057, "molecule_chembl_id": "CHEMBL399318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.15", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORANTRANILIPROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146058", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOLATREXED", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146058, "molecule_chembl_id": "CHEMBL320775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.34", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NOLATREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150561", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-ISOTHIOUREIDOBUTYRONITRILE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150561, "molecule_chembl_id": "CHEMBL4297540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.22", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Kevetrin (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151843", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151843, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146980", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLATED HYDROXYANISOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146980, "molecule_chembl_id": "CHEMBL192451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.25", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYLATED HYDROXYANISOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152656", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAVIPIRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152656, "molecule_chembl_id": "CHEMBL221722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.10", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "favipiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(F)cnc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148393", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148393, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152069", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152069, "molecule_chembl_id": "CHEMBL256470", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LPA2 antagonist 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ncnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147649", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIMELDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147649, "molecule_chembl_id": "CHEMBL2355333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.17", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "zimelidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146897", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146897, "molecule_chembl_id": "CHEMBL2206278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AC-710"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153631", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153631, "molecule_chembl_id": "CHEMBL3342332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.80", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-1155463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149225", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149225, "molecule_chembl_id": "CHEMBL287257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.24", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diclofensine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147336", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147336, "molecule_chembl_id": "CHEMBL4585840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.26", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Dethiobiotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1NC(=O)NC1CCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151726", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITALOPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151726, "molecule_chembl_id": "CHEMBL549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESCITALOPRAM OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151727", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151727, "molecule_chembl_id": "CHEMBL3349370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.67", "alogp": "5.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XL765"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151291", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151291, "molecule_chembl_id": "CHEMBL4303436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.76", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SULFANILATE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)O[Zn]OS(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151191", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTENABANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151191, "molecule_chembl_id": "CHEMBL562668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.43", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Otenabant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151900", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151900, "molecule_chembl_id": "CHEMBL1450144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.50", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JX-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146691", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146691, "molecule_chembl_id": "CHEMBL1956589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.18", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-1269574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151205", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSUXIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151205, "molecule_chembl_id": "CHEMBL697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methsuximide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147166", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOBENZOATE POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147166, "molecule_chembl_id": "CHEMBL1564391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.23", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "POTASSIUM p-AMINOBENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)[O-])cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151921", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151921, "molecule_chembl_id": "CHEMBL1886408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.30", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Felbinac ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147422", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147422, "molecule_chembl_id": "CHEMBL4303606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.40", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TP-003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151930", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151930, "molecule_chembl_id": "CHEMBL1580036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.30", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-335083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151043", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151043, "molecule_chembl_id": "CHEMBL1371156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL 54443"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(O)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146540", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146540, "molecule_chembl_id": "CHEMBL202721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-447439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146541", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146541, "molecule_chembl_id": "CHEMBL479014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.03", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-bromo-7-nitroindazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2c(Br)n[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146544", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTYLDODECANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146544, "molecule_chembl_id": "CHEMBL1572050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.55", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "2-Octyldodecan-1-ol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(CO)CCCCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151048", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151048, "molecule_chembl_id": "CHEMBL125044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV666026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151050", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALADEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151050, "molecule_chembl_id": "CHEMBL2142592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Taladegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147169", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-901", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147169, "molecule_chembl_id": "CHEMBL3544932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.66", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146800", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDOXURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146800, "molecule_chembl_id": "CHEMBL788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.10", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDOXURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149333", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149333, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cytisine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153838", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALIMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153838, "molecule_chembl_id": "CHEMBL2364626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.54", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "RALIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149340", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IB-MECA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149340, "molecule_chembl_id": "CHEMBL119709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.29", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOCAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153394, "molecule_chembl_id": "CHEMBL278172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153856", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISACODYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153856, "molecule_chembl_id": "CHEMBL942", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BISACODYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150614", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150614, "molecule_chembl_id": "CHEMBL2362008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.74", "alogp": "-0.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "(D-Ala2;N-Me-Phe4; methionin (O)-ol5)-enkephalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)CC[S+](C)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147297", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILEUTON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147297, "molecule_chembl_id": "CHEMBL93", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZILEUTON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151802", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAMETHYLAMMONIUM ION", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151802, "molecule_chembl_id": "CHEMBL46486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "74.15", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAMETHYLAMMONIUM ION"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147200", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORTETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147200, "molecule_chembl_id": "CHEMBL2146063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.35", "alogp": "0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHLORTETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152644", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESMINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152644, "molecule_chembl_id": "CHEMBL4296717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Resminostat (RAS2410)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOTHIAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153000, "molecule_chembl_id": "CHEMBL304902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.88", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clothiapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152509", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANDOSPIRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152509, "molecule_chembl_id": "CHEMBL274047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.50", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tandospirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152510", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E-DOXEPIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152510, "molecule_chembl_id": "CHEMBL860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "doxepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2COc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152511", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELODIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152511, "molecule_chembl_id": "CHEMBL1480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.26", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151162", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRABROMOBENZOTRIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151162, "molecule_chembl_id": "CHEMBL177820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.71", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4;5;6;7-tetrabromobenzotriazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(Br)c(Br)c2[nH]nnc2c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146003", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-242235", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146003, "molecule_chembl_id": "CHEMBL95692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-242235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150425", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLBUTAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150425, "molecule_chembl_id": "CHEMBL101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYLBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150812", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVELESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150812, "molecule_chembl_id": "CHEMBL3617964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Alvelestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151910", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151910, "molecule_chembl_id": "CHEMBL1370317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.30", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-306970"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150589", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAFUTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150589, "molecule_chembl_id": "CHEMBL1742461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lafutidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])Cc1ccco1)NC/C=C\\COc1cc(CN2CCCCC2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150830", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150830, "molecule_chembl_id": "CHEMBL56543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-490"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147743", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147743, "molecule_chembl_id": "CHEMBL1457003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.74", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINETHAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151914", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-345541", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151914, "molecule_chembl_id": "CHEMBL249697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-345541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152486", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISODAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152486, "molecule_chembl_id": "CHEMBL2165224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ANISODAMINE HYDROBROMIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151877", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOVERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151877, "molecule_chembl_id": "CHEMBL1512949", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.57", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "fenoverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150608", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150608, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LODOXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145915", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145915, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PODOFILOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145919", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEXENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145919, "molecule_chembl_id": "CHEMBL1898387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEXENEONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146308", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LESINURAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146308, "molecule_chembl_id": "CHEMBL2105720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.29", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lesinurad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145737", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145737, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-NNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145492", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145492, "molecule_chembl_id": "CHEMBL3781415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145651", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROFLAVINE HEMISULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145651, "molecule_chembl_id": "CHEMBL465704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.58", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROFLAVINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GTS-21", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145663, "molecule_chembl_id": "CHEMBL134713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GTS-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2\\CCCN=C2c2cccnc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145503", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSE BENGAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145503, "molecule_chembl_id": "CHEMBL1160160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "973.67", "alogp": "8.70", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "rose-bengal-lactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148453", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148453, "molecule_chembl_id": "CHEMBL1236904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.49", "alogp": "3.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCT137690"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146196", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146196, "molecule_chembl_id": "CHEMBL10557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.37", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erianin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150594", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRICITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150594, "molecule_chembl_id": "CHEMBL210651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "apricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145745", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISOCTRIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145745, "molecule_chembl_id": "CHEMBL2104957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "658.89", "alogp": "9.58", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BISOCTRIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146331", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DERACOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146331, "molecule_chembl_id": "CHEMBL28636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DERACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145953", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145953, "molecule_chembl_id": "CHEMBL343822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.44", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMP-543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961253", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961253, "molecule_chembl_id": "CHEMBL4303163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBiPES"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2ccc(C#N)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151711", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUSENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151711, "molecule_chembl_id": "CHEMBL23261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "darusentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145710", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145710, "molecule_chembl_id": "CHEMBL4086276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.48", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-299"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154078", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154078, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149774", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENIPORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149774, "molecule_chembl_id": "CHEMBL64360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENIPORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964161", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUNIXIN MEGLUMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964161, "molecule_chembl_id": "CHEMBL1733447", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.46", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUNIXIN MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964169", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964169, "molecule_chembl_id": "CHEMBL2130744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.82", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tropisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959936", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUP-697", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959936, "molecule_chembl_id": "CHEMBL42485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.32", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DUP-697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964081", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRIDANIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964081, "molecule_chembl_id": "CHEMBL1569545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cridanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2ccccc2c(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964086", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964086, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Epalrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964091", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORZOXAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964091, "molecule_chembl_id": "CHEMBL1371", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.57", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORZOXAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUFENURON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959394, "molecule_chembl_id": "CHEMBL1364906", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.15", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LUFENURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.546", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147137", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTRIANISENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147137, "molecule_chembl_id": "CHEMBL1200761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "chlorotrianisene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151747", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASQUINIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151747, "molecule_chembl_id": "CHEMBL2107784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tasquinimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147149", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPARABEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147149, "molecule_chembl_id": "CHEMBL325372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methylparaben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150008", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYNASORE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150008, "molecule_chembl_id": "CHEMBL1209885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.32", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dynasore"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc(O)c(O)c1)c1cc2ccccc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150086", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150086, "molecule_chembl_id": "CHEMBL2178284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.27", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MUT056399"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(O)c(Oc2ccc(C(N)=O)cc2F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154588", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154588, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.07", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154463", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154463, "molecule_chembl_id": "CHEMBL4303620", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "451.55", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrintegrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "740.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCC1CC1)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149601", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149601, "molecule_chembl_id": "CHEMBL120768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOLMITRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147916", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARDIOGENOL C", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147916, "molecule_chembl_id": "CHEMBL1241078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cardiogenol-c"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2nccc(NCCO)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150038", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150038, "molecule_chembl_id": "CHEMBL1394514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-CCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149908", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RELEBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149908, "molecule_chembl_id": "CHEMBL3112741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.38", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RELEBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154275", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.40", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154275, "molecule_chembl_id": "CHEMBL10835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.03", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3970.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154416", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154416, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1310.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962237", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MGCD-265", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962237, "molecule_chembl_id": "CHEMBL254760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.61", "alogp": "5.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MGCD-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.971", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963108", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963108, "molecule_chembl_id": "CHEMBL1982368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.77", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JIB04 (NSC693627)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(N/N=C(\\c2ccccc2)c2ccccn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957518", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957518, "molecule_chembl_id": "CHEMBL1491962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.45", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0240551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958567", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958567, "molecule_chembl_id": "CHEMBL4226052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "923.45", "alogp": "5.77", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ARV-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955627, "molecule_chembl_id": "CHEMBL4303395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-2,3-Pinanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@H](O)[C@](C)(O)[C@@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960408", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960408, "molecule_chembl_id": "CHEMBL2178100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLPG0492"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@@]1(CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957938", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957938, "molecule_chembl_id": "CHEMBL2148074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.61", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMG-0358"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1-c1c[nH]nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960693", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRENOLANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960693, "molecule_chembl_id": "CHEMBL2105728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Crenolanib (CP-868596)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.904", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957556", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOPROTERENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957556, "molecule_chembl_id": "CHEMBL434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "rac-isoprenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957150", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957150, "molecule_chembl_id": "CHEMBL284861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.27", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TDZD-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1sc(=O)n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958672", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMYLOCAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958672, "molecule_chembl_id": "CHEMBL1740065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.33", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amyleine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.822", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(CN(C)C)OC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962174", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962174, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fudosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959332", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959332, "molecule_chembl_id": "CHEMBL4303696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diflorasone diacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956789", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956789, "molecule_chembl_id": "CHEMBL474133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.48", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UCPH-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2cccc4ccccc24)C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957705", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPIVASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957705, "molecule_chembl_id": "CHEMBL2325741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.92", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZD5363"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957706", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DONEPEZIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957706, "molecule_chembl_id": "CHEMBL502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DONEPEZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958015, "molecule_chembl_id": "CHEMBL2262291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.18", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-380838"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963316", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLIQUIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963316, "molecule_chembl_id": "CHEMBL383634", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.64", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gliquidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962182", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962182, "molecule_chembl_id": "CHEMBL360648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "600.79", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-OT-39"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.855", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957592", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957592, "molecule_chembl_id": "CHEMBL4542380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962066", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UMBRALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962066, "molecule_chembl_id": "CHEMBL3948730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "571.56", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Umbralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962083", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962083, "molecule_chembl_id": "CHEMBL1715705", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.73", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ozagrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962090", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIPATRIGINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962090, "molecule_chembl_id": "CHEMBL28854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.69", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sipatrigine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962094", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APRINDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962094, "molecule_chembl_id": "CHEMBL2104501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.96", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aprindine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959170", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959170, "molecule_chembl_id": "CHEMBL271023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.27", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-106-9920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][S+](c1ccccc1)c1ccc2nnnn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958147", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICHLOROACETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958147, "molecule_chembl_id": "CHEMBL14053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.39", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLOROACETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cl)(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957902", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957902, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "forskolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957741", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEFLAMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957741, "molecule_chembl_id": "CHEMBL119385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.27", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "VX-745"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962754", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962754, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMSACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.981", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957842", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESIQUIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957842, "molecule_chembl_id": "CHEMBL383322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RESIQUIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957336", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957336, "molecule_chembl_id": "CHEMBL250699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-803467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957345", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957345, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAZOPANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958197", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958197, "molecule_chembl_id": "CHEMBL574783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.37", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962232", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962232, "molecule_chembl_id": "CHEMBL1332716", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "RIFAMPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958271", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958271, "molecule_chembl_id": "CHEMBL244859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.29", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2/SC(=O)NC2=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959357", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRANIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959357, "molecule_chembl_id": "CHEMBL1096842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.48", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pranidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.626", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959359", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959359, "molecule_chembl_id": "CHEMBL1625728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.80", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS-54505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-83.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958279", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958279, "molecule_chembl_id": "CHEMBL328710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.33", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMBI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958639", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958639, "molecule_chembl_id": "CHEMBL1357941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.56", "alogp": "5.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MRS1334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1C#Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958259", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINAFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958259, "molecule_chembl_id": "CHEMBL278255", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.79", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLINAFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963638", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOMELOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963638, "molecule_chembl_id": "CHEMBL1078178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Momelotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9103", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958142", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958142, "molecule_chembl_id": "CHEMBL3088320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312880"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959554", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALBUTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959554, "molecule_chembl_id": "CHEMBL714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALBUTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960495", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960495, "molecule_chembl_id": "CHEMBL2354637", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXELAIDIN CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955722", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALACEPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955722, "molecule_chembl_id": "CHEMBL2103775", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.50", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alacepril\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964251", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.73", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964251, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956754", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFSULODIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956754, "molecule_chembl_id": "CHEMBL3351077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.56", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFSULODIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964257", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.83", "bao_label": "assay format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964257, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1490.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959224", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959224, "molecule_chembl_id": "CHEMBL4303373", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.37", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxymatrine (Matrine N-oxide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.482", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@@H]3CCC[N+]4([O-])CCC[C@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961850", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961850, "molecule_chembl_id": "CHEMBL294803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.67", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-29794 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964034", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRETAZENIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964034, "molecule_chembl_id": "CHEMBL366947", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.29", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bretazenil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958025", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958025, "molecule_chembl_id": "CHEMBL2203530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.36", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML281 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962703", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM PHENYLBUTYRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962703, "molecule_chembl_id": "CHEMBL1746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.19", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM PHENYLBUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCCc1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957888", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957888, "molecule_chembl_id": "CHEMBL4278946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.30", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD5904"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958030", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958030, "molecule_chembl_id": "CHEMBL12296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.34", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S20928"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCc1cccc2ccccc12)C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962713", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DODECANOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962713, "molecule_chembl_id": "CHEMBL108766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.32", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dodecanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964421", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIGENIN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964421, "molecule_chembl_id": "CHEMBL28", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959491", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959491, "molecule_chembl_id": "CHEMBL28324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "721.86", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KN-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955596", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESVERATROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955596, "molecule_chembl_id": "CHEMBL165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Resveratrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959685", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISOCTRIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959685, "molecule_chembl_id": "CHEMBL2104957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "658.89", "alogp": "9.58", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BISOCTRIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.955", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956720", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956720, "molecule_chembl_id": "CHEMBL429910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956995", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956995, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDARAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964004", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964004, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962252", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOHIPPURATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962252, "molecule_chembl_id": "CHEMBL1681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.07", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-iodohippuric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957661", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957661, "molecule_chembl_id": "CHEMBL2029422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.60", "alogp": "3.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB8761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962738", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPROSARTAN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962738, "molecule_chembl_id": "CHEMBL1200987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eprosartan Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958140", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958140, "molecule_chembl_id": "CHEMBL1392444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.39", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-119574"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=S)N1CCCc2ccccc21)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957090", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENKEPHALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957090, "molecule_chembl_id": "CHEMBL8234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.63", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Leu-Enkephalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959577", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MANIDIPINE 6300", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959577, "molecule_chembl_id": "CHEMBL1085699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "MANIDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961916", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961916, "molecule_chembl_id": "CHEMBL4303218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Neohesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957965", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957965, "molecule_chembl_id": "CHEMBL193664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119400"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958182", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958182, "molecule_chembl_id": "CHEMBL7154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.29", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958131", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958131, "molecule_chembl_id": "CHEMBL266240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.73", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963983", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963983, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964111", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964111, "molecule_chembl_id": "CHEMBL4303164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.39", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXA-06"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1CNCc1ccc(-c2ccnc3[nH]ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959582", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADRAFINIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959582, "molecule_chembl_id": "CHEMBL93077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.36", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrafinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961486", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961486, "molecule_chembl_id": "CHEMBL3186656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.97", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-5274857"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.587", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961141", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961141, "molecule_chembl_id": "CHEMBL4303405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N;N?\u00ce-Diacetyl-L-cystine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956367", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956367, "molecule_chembl_id": "CHEMBL373134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-TYP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(-c2cnn[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961094", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIRIMILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961094, "molecule_chembl_id": "CHEMBL1922282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.26", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lirimilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.097", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956646", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956646, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAROPITANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963126, "molecule_chembl_id": "CHEMBL2111099", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.69", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Maropitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963739", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYANO-PYRROLIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963739, "molecule_chembl_id": "CHEMBL262697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "96.13", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-1-carbonitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957766", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957766, "molecule_chembl_id": "CHEMBL104383", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROTIGOTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962424", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962424, "molecule_chembl_id": "CHEMBL1255868", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.71", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C#Cc2ccccc2)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963462", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963462, "molecule_chembl_id": "CHEMBL4303532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.51", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.886", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cccc(-c2ccccc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963464", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963464, "molecule_chembl_id": "CHEMBL2426364", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.73", "alogp": "4.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958861", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCORTISONE VALERATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958861, "molecule_chembl_id": "CHEMBL1200562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.58", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.809", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958759", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958759, "molecule_chembl_id": "CHEMBL1494883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.48", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "profenamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958825", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULMAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958825, "molecule_chembl_id": "CHEMBL286020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulmazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([S+](C)[O-])ccc1-c1nc2ccc[nH]c-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957255", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957255, "molecule_chembl_id": "CHEMBL3818617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.34", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY-598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)CO)[C@H]1CN(/C(=N\\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957257", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957257, "molecule_chembl_id": "CHEMBL2426364", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.73", "alogp": "4.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958834", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958834, "molecule_chembl_id": "CHEMBL1256667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.41", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-205384"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC(O)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957435", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957435, "molecule_chembl_id": "CHEMBL457614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.84", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1332"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957437", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957437, "molecule_chembl_id": "CHEMBL1765463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.47", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HS-173"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963446", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RICOLINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963446, "molecule_chembl_id": "CHEMBL2364628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ACY-1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.643", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957605", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957605, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962010", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962010, "molecule_chembl_id": "CHEMBL448805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dextrose (D-glucose)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.717", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957449", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957449, "molecule_chembl_id": "CHEMBL3769755", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.92", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MS417"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964124", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIBUCAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964124, "molecule_chembl_id": "CHEMBL1086", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.47", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIBUCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957609", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957609, "molecule_chembl_id": "CHEMBL2182052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.50", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957615", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957615, "molecule_chembl_id": "CHEMBL1405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "estrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962023", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUPICOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962023, "molecule_chembl_id": "CHEMBL2106646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bupicomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.663", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(C(N)=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962024", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962024, "molecule_chembl_id": "CHEMBL1373467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.24", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diphencyprone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccccc2)c1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962820", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIBROMOETHANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962820, "molecule_chembl_id": "CHEMBL1697852", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.76", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;2;2-Tribromoethanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(Br)(Br)Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957193", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957193, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cytisine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957196", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957196, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IRBESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961796", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961796, "molecule_chembl_id": "CHEMBL460273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.46", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 1661010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961799", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961799, "molecule_chembl_id": "CHEMBL4164286", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.26", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NK-252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.199", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957209", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOXYCORTICOSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957209, "molecule_chembl_id": "CHEMBL1498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "deoxycorticosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957210", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957210, "molecule_chembl_id": "CHEMBL122413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.75", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-366791"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961810", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961810, "molecule_chembl_id": "CHEMBL364005", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD-386088"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957215", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957215, "molecule_chembl_id": "CHEMBL174588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ 16259685"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957216", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957216, "molecule_chembl_id": "CHEMBL373011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.81", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-779450"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-38.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957217", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957217, "molecule_chembl_id": "CHEMBL232656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.90", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX 471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961816, "molecule_chembl_id": "CHEMBL3098745", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.26", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AF38469"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961818", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961818, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PODOFILOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.475", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957222", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957222, "molecule_chembl_id": "CHEMBL570345", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HC-056456"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccs1)c1no[n+]([O-])c1C(=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961823", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961823, "molecule_chembl_id": "CHEMBL1865834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.81", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piribedil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961827", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BX-795", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961827, "molecule_chembl_id": "CHEMBL577784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.48", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BX-795"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.325", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957235", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957235, "molecule_chembl_id": "CHEMBL4303250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.57", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTH-01-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1cc3ccccc3cc1N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962433", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAQUINIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962433, "molecule_chembl_id": "CHEMBL66092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.81", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Laquinimod (ABR-215062)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962343", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-216763", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962343, "molecule_chembl_id": "CHEMBL102714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.22", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-216763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957833", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMARIGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957833, "molecule_chembl_id": "CHEMBL2105762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "1.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OMARIGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961883", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961883, "molecule_chembl_id": "CHEMBL3218581", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.54", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A66"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964396", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964396, "molecule_chembl_id": "CHEMBL154580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JAK3-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959913", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959913, "molecule_chembl_id": "CHEMBL1259058", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSI-7976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959802", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SSR180711", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959802, "molecule_chembl_id": "CHEMBL559478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.21", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SSR-180711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959806", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFOCTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959806, "molecule_chembl_id": "CHEMBL1476605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOFOCTOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959808", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DASABUVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959808, "molecule_chembl_id": "CHEMBL3137312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dasabuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964415", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964415, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960012", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVIMOPAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960012, "molecule_chembl_id": "CHEMBL270190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.54", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alvimopan (monohydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964185", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCRALFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964185, "molecule_chembl_id": "CHEMBL2367706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "2072.71", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SUCRALFATE [5mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964523", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964523, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964190", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERBUTALINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964190, "molecule_chembl_id": "CHEMBL1315867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.66", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBUTALINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959925", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959925, "molecule_chembl_id": "CHEMBL106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.28", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8772", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959927", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959927, "molecule_chembl_id": "CHEMBL1327247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.46", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DH-97"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964126, "molecule_chembl_id": "CHEMBL1976486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.33", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC319726"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.575", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=S)N1CCC1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961683", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961683, "molecule_chembl_id": "CHEMBL4303245", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ticagrelor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958608", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958608, "molecule_chembl_id": "CHEMBL2204502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.65", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "XL888"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963211", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963211, "molecule_chembl_id": "CHEMBL1788131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-PPBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.c1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961684", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESATENOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961684, "molecule_chembl_id": "CHEMBL343633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.543", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961764", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961764, "molecule_chembl_id": "CHEMBL1200885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.82", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alosetron_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963595", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04457845", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963595, "molecule_chembl_id": "CHEMBL1651534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.44", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04457845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961777", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961777, "molecule_chembl_id": "CHEMBL1554187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.62", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cytochalasin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957178", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957178, "molecule_chembl_id": "CHEMBL4303679", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.59", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-1100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962135", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TREHALOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962135, "molecule_chembl_id": "CHEMBL1236395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Trehalose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961783", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961783, "molecule_chembl_id": "CHEMBL56543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-490"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957187", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957187, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "MASITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961787", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961787, "molecule_chembl_id": "CHEMBL255682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.47", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957188", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957188, "molecule_chembl_id": "CHEMBL4068554", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.50", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL70"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962562", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962562, "molecule_chembl_id": "CHEMBL1190161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "583.60", "alogp": "4.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "T-0156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962566", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIFLUPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962566, "molecule_chembl_id": "CHEMBL1201102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.89", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRIFLUPROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957837", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957837, "molecule_chembl_id": "CHEMBL460491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.67", "alogp": "5.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IT1t"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN2C(CS/C(=N\\C3CCCCC3)NC3CCCCC3)=CSC2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962443", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962443, "molecule_chembl_id": "CHEMBL1966136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.16", "alogp": "8.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NSC636819"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)c(Cl)c2)cc1/C=C/c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962523", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WORTMANNIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962523, "molecule_chembl_id": "CHEMBL428496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Wortmannin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.517", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957925", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAVORIXAFOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957925, "molecule_chembl_id": "CHEMBL518924", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.48", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AMD-070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962451", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962451, "molecule_chembl_id": "CHEMBL4303583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPH1 (BRD-6125)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962550", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPINEPHRINE BITARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962550, "molecule_chembl_id": "CHEMBL1256958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.29", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPINEPHRINE BITARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958117", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958117, "molecule_chembl_id": "CHEMBL55145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.67", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-300315"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2cc(O)nc(O)n2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962196", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962196, "molecule_chembl_id": "CHEMBL225542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957601", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957601, "molecule_chembl_id": "CHEMBL4521971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.26", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-196"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957037", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957037, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962359", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962359, "molecule_chembl_id": "CHEMBL476833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.22", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961699", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAURURSODIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961699, "molecule_chembl_id": "CHEMBL272427", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.71", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tauroursodeoxy cholic_acid dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962967", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALRUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962967, "molecule_chembl_id": "CHEMBL1096885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "723.65", "alogp": "2.46", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Valrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150696", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANS-ASARONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150696, "molecule_chembl_id": "CHEMBL333306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.26", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-Asarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/c1cc(OC)c(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150593", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOGLIBOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150593, "molecule_chembl_id": "CHEMBL476960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "-4.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "voglibose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150702", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150702, "molecule_chembl_id": "CHEMBL1355077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propyl-benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150703", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXAPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150703, "molecule_chembl_id": "CHEMBL1754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.52", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doxapram hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150595", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINOXIDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150595, "molecule_chembl_id": "CHEMBL802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MINOXIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956473", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956473, "molecule_chembl_id": "CHEMBL50588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.65", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956353", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CALPEPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956353, "molecule_chembl_id": "CHEMBL92708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CALPEPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956578", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOMOVANILLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956578, "molecule_chembl_id": "CHEMBL1562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.18", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMOVANILLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CC(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961257", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLIMEPIRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961257, "molecule_chembl_id": "CHEMBL1481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.63", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLIMEPIRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.644", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146605", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146605, "molecule_chembl_id": "CHEMBL4549735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "792.02", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ASCOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151116", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151116, "molecule_chembl_id": "CHEMBL3310197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146614", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146614, "molecule_chembl_id": "CHEMBL3786182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2879552"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146618", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146618, "molecule_chembl_id": "CHEMBL2386353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.32", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUG-770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146259", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEBUCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146259, "molecule_chembl_id": "CHEMBL487186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.82", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEBUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961489", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961489, "molecule_chembl_id": "CHEMBL590022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.29", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.565", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2ccc(-c3ccc(F)cc3)o2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150853", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150853, "molecule_chembl_id": "CHEMBL2028393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.08", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bromebric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C(Br)=C/C(=O)[O-])cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962032", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROPHENOTHANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962032, "molecule_chembl_id": "CHEMBL416898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "4;4'-DDT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.432", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963141", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIMESULIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963141, "molecule_chembl_id": "CHEMBL56367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIMESULIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964132", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964132, "molecule_chembl_id": "CHEMBL469169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.87", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-939572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964137", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964137, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir (ABT-378)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964147", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TUBOCURARINE CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964147, "molecule_chembl_id": "CHEMBL3989821", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "771.73", "alogp": "6.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TUBOCURARINE CHLORIDE PENTAHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959389", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FURSULTIAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959389, "molecule_chembl_id": "CHEMBL1740659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fursultiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962222", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALCAFTADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962222, "molecule_chembl_id": "CHEMBL1201747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alcaftadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964232", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.86", "bao_label": "assay format", "molecule_pref_name": "TPCK", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964232, "molecule_chembl_id": "CHEMBL60718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.86", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tosyl Phenylalanyl Chloromethyl Ketone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1370.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959396", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959396, "molecule_chembl_id": "CHEMBL1397069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "iopromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957017", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957017, "molecule_chembl_id": "CHEMBL2178134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.40", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-7915"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959668", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VELNACRINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959668, "molecule_chembl_id": "CHEMBL23455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.34", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxytacrine-maleate-(r;s)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957029", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957029, "molecule_chembl_id": "CHEMBL466397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "851.98", "alogp": "6.86", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "GSK1904529A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959415", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959415, "molecule_chembl_id": "CHEMBL2335154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.34", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXF-BD-02"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964170", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEVELAMER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964170, "molecule_chembl_id": "CHEMBL1201798", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.62", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Sevelamer HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.717", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN.ClCC1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964256", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.70", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964256, "molecule_chembl_id": "CHEMBL1256915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eseroline-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1990.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964285", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.68", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964285, "molecule_chembl_id": "CHEMBL188434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.41", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-747651A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2070.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959572", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959572, "molecule_chembl_id": "CHEMBL189477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.14", "alogp": "-0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP 37849"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.755", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\[C@@H](N)C(=O)O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960286", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960286, "molecule_chembl_id": "CHEMBL1335656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHAZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N=c1sc(S(N)(=O)=O)nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960641", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAMIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960641, "molecule_chembl_id": "CHEMBL159776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pramiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955677", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COUMARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955677, "molecule_chembl_id": "CHEMBL6466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Coumarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960260", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCARBAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960260, "molecule_chembl_id": "CHEMBL1200410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "1.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCARBAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.662", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNNCc1ccc(C(=O)NC(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964249", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.58", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964249, "molecule_chembl_id": "CHEMBL505308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.23", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2630.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957614", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957614, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963338", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963338, "molecule_chembl_id": "CHEMBL451835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.44", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EC-23"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959364", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959364, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Troxipide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.543", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963969", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963969, "molecule_chembl_id": "CHEMBL2324347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1734"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963153", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITROFURANTOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963153, "molecule_chembl_id": "CHEMBL572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.16", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITROFURANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963346", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZILSARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963346, "molecule_chembl_id": "CHEMBL57242", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.46", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azilsartan (TAK-536)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.066", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958129", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958129, "molecule_chembl_id": "CHEMBL1351018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.20", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-303408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958524", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958524, "molecule_chembl_id": "CHEMBL1392806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.44", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-278377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963735", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963735, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963746", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAZEDOXIFENE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963746, "molecule_chembl_id": "CHEMBL2106615", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.67", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bazedoxifene HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964480", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964480, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963151", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFANITRAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963151, "molecule_chembl_id": "CHEMBL493636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFANITRAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.588", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959893", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959893, "molecule_chembl_id": "CHEMBL184074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.74", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ZK-164015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962850", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERLOTINIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962850, "molecule_chembl_id": "CHEMBL1079742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.90", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erlotinib(OSI-744)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1805", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962851", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEXTURASTAT A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962851, "molecule_chembl_id": "CHEMBL2179618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexturastat A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959779", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959779, "molecule_chembl_id": "CHEMBL377312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.92", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2C[N@]3CC[C@H]2CC3)c1-c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964505", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORANIL", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964505, "molecule_chembl_id": "CHEMBL192627", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "245.88", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963953", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPIZOFURONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963953, "molecule_chembl_id": "CHEMBL18098", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.21", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spizofurone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963954", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AUSTROBAILIGNAN 6", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963954, "molecule_chembl_id": "CHEMBL254071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Macelignan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959351", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOXYBENZAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959351, "molecule_chembl_id": "CHEMBL1200787", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenoxybenzamine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959910", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959910, "molecule_chembl_id": "CHEMBL3335796", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.28", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NHI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963959", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALAZOPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963959, "molecule_chembl_id": "CHEMBL3137320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.36", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Talazoparib (BMN 673)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963782", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROTIGOTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963782, "molecule_chembl_id": "CHEMBL1303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rotigotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959283", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959283, "molecule_chembl_id": "CHEMBL3039370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIGLITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957253", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957253, "molecule_chembl_id": "CHEMBL4303633", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Z-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958865", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958865, "molecule_chembl_id": "CHEMBL4303442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "873.09", "alogp": "5.38", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ABAMECTIN (avermectin B1a shown)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](OC3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963469", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963469, "molecule_chembl_id": "CHEMBL568305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.56", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPP-78"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963797", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963797, "molecule_chembl_id": "CHEMBL456145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1Cc2[nH]nc(-c3nn[nH]n3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959295", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959295, "molecule_chembl_id": "CHEMBL262746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1019.26", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Octreotide (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959199", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959199, "molecule_chembl_id": "CHEMBL4303494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1526.77", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Linaclotide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)NC([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963326", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963326, "molecule_chembl_id": "CHEMBL4303483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.21", "alogp": "-3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyl-D-glucosamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.736", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958724", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958724, "molecule_chembl_id": "CHEMBL3039448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUOROMETHOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963345", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAUROCHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963345, "molecule_chembl_id": "CHEMBL224867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.71", "alogp": "2.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Taurocholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145690", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145690, "molecule_chembl_id": "CHEMBL439259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.80", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PQ-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150520", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150520, "molecule_chembl_id": "CHEMBL3103988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS 9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146020", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146020, "molecule_chembl_id": "CHEMBL27885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.69", "alogp": "7.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NB-598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCc2cc(-c3ccsc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151358", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151358, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Adapalene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESVENLAFAXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146855, "molecule_chembl_id": "CHEMBL1118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desvenlafaxine succinate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145979, "molecule_chembl_id": "CHEMBL94841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.66", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-(4chlorophenyl)-4-ethyl-2;4-dihydro-3H-1;2;4-triazol-3-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(O)nnc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146856", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146856, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "mubritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146858", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZEBULARINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146858, "molecule_chembl_id": "CHEMBL504567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.20", "alogp": "-2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zebularine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151365", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151365, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(3?;5?)-3-Hydroxy-pregnan-20-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147022", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORELGESTROMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147022, "molecule_chembl_id": "CHEMBL1200807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.47", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norgestimate metabolite Norelgestromin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152273", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPAMIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152273, "molecule_chembl_id": "CHEMBL1200932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "777.09", "alogp": "-1.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Iopamidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152278", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMPYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152278, "molecule_chembl_id": "CHEMBL388560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMPYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150575", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150575, "molecule_chembl_id": "CHEMBL1236475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "-2.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tetrahydrouridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146574", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146574, "molecule_chembl_id": "CHEMBL1200384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.60", "alogp": "3.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BETAMETHASONE 17;21-DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146933", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146933, "molecule_chembl_id": "CHEMBL1200432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.73", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methyldopate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151455", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDAMUSTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151455, "molecule_chembl_id": "CHEMBL487253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.27", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENDAMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146957", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRALAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146957, "molecule_chembl_id": "CHEMBL276832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDRALAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147509", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WNT-974", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147509, "molecule_chembl_id": "CHEMBL3188386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LGK-974"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152015, "molecule_chembl_id": "CHEMBL1441661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.47", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UCL-2077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152229", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABERGOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152229, "molecule_chembl_id": "CHEMBL1201087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cabergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147642", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPIVEFRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147642, "molecule_chembl_id": "CHEMBL1201262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.44", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dipivefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152233", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBENOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152233, "molecule_chembl_id": "CHEMBL3301681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tribenoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960613", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETOSTEARYL ALCOHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960613, "molecule_chembl_id": "CHEMBL24640", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.50", "alogp": "6.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Octadecan-1-ol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961173", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXTROMETHORPHAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961173, "molecule_chembl_id": "CHEMBL1201004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.32", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXTROMETHORPHAN HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959995", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959995, "molecule_chembl_id": "CHEMBL1093534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHP-501 trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPARFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960000, "molecule_chembl_id": "CHEMBL850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPARFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149042", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149042, "molecule_chembl_id": "CHEMBL198582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.47", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sirtinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148831", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148831, "molecule_chembl_id": "CHEMBL367463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pranoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955577", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955577, "molecule_chembl_id": "CHEMBL457530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "asymmetrical-dimethylarginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960233", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960233, "molecule_chembl_id": "CHEMBL2030402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.72", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL413 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961543", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961543, "molecule_chembl_id": "CHEMBL1230584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.91", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EC-144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147471", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PNU-282987", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147471, "molecule_chembl_id": "CHEMBL177611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.76", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU 282987"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150518", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LCL-161", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150518, "molecule_chembl_id": "CHEMBL2431768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LCL161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146021", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOZOCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146021, "molecule_chembl_id": "CHEMBL1651906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Streptozocin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955581", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENTINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955581, "molecule_chembl_id": "CHEMBL27759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.42", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Entinostat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154002", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154002, "molecule_chembl_id": "CHEMBL1683636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.58", "alogp": "7.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NH125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149503", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149503, "molecule_chembl_id": "CHEMBL1358662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propranolol-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154011", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154011, "molecule_chembl_id": "CHEMBL3421914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.60", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DDR1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154029", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154029, "molecule_chembl_id": "CHEMBL3688339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.43", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTSSP167"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153495", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153495, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153815", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153815, "molecule_chembl_id": "CHEMBL27289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.78", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloconazole HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146616", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETORICOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146616, "molecule_chembl_id": "CHEMBL416146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.85", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etoricoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150762", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150762, "molecule_chembl_id": "CHEMBL4097104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.42", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-651282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146631", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146631, "molecule_chembl_id": "CHEMBL1201109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.51", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146266", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146266, "molecule_chembl_id": "CHEMBL1628564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.46", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2365109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(-c2ccc3c(c2)OCO3)cc1C(C)(C)C)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151006", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOXITIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151006, "molecule_chembl_id": "CHEMBL1200530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.44", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFOXITIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146267", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146267, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oseltamivir_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151014", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151014, "molecule_chembl_id": "CHEMBL1231132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.88", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146277", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146277, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150783", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KUROMANIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150783, "molecule_chembl_id": "CHEMBL257839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.39", "alogp": "0.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Kuromanin (chloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151338", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151338, "molecule_chembl_id": "CHEMBL238125", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.76", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SD-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146837", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146837, "molecule_chembl_id": "CHEMBL2386353", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.32", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUG-770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153485", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153485, "molecule_chembl_id": "CHEMBL1200645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.54", "alogp": "1.10", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Etoposide phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148987", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRILAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148987, "molecule_chembl_id": "CHEMBL577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246684"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956370", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956370, "molecule_chembl_id": "CHEMBL1233897", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.37", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HPGDS inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(F)c2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149274", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149274, "molecule_chembl_id": "CHEMBL2397317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.51", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-00127_HEV1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c(C)nn3c(NCCN4CCOCC4)cc(C)nc23)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149070", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIRATEGRAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149070, "molecule_chembl_id": "CHEMBL2104967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.51", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Firategrast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153311", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153311, "molecule_chembl_id": "CHEMBL4303476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.66", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Doxercalciferol (Hectorol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C/C=C2\\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153593", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153593, "molecule_chembl_id": "CHEMBL406845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.78", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149730", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149730, "molecule_chembl_id": "CHEMBL430483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etonogestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3C(=C)CC21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148872", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148872, "molecule_chembl_id": "CHEMBL1550905", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMZ30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149331", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149331, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Reparixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150545", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMETREXED DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150545, "molecule_chembl_id": "CHEMBL2360464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.38", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEMETREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147044", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-THIORPHAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147044, "molecule_chembl_id": "CHEMBL298827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149305", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-180736A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149305, "molecule_chembl_id": "CHEMBL384073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.37", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK180736A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)NC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146756", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146756, "molecule_chembl_id": "CHEMBL475627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nnc(-c4ccccc4)nc3s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147587", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147587, "molecule_chembl_id": "CHEMBL1345690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NQDI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151417", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151417, "molecule_chembl_id": "CHEMBL1617363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.37", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAU-5884"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N1Cc3ccccc3NC1=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147371", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147371, "molecule_chembl_id": "CHEMBL112816", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.76", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-19220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147751", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147751, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001247074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147763", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147763, "molecule_chembl_id": "CHEMBL2106210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.72", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Detomidine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Cc2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148958", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148958, "molecule_chembl_id": "CHEMBL559569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.41", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-612111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149385", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149385, "molecule_chembl_id": "CHEMBL37312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.41", "alogp": "6.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LY225910"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153892", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153892, "molecule_chembl_id": "CHEMBL3105836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFK-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149395", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149395, "molecule_chembl_id": "CHEMBL1354363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148766", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2,2-DIMETHYLBUTYRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148766, "molecule_chembl_id": "CHEMBL286013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.16", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "HQK-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153760", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIZOFENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153760, "molecule_chembl_id": "CHEMBL2106822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.88", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nizofenone fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153073", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153073, "molecule_chembl_id": "CHEMBL2143592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.85", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS 794833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153077", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153077, "molecule_chembl_id": "CHEMBL562737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.40", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119139"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152636", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152636, "molecule_chembl_id": "CHEMBL180966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALX-5407"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148143", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148143, "molecule_chembl_id": "CHEMBL399239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.39", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GEMIFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152526", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMELTOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152526, "molecule_chembl_id": "CHEMBL22916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ameltolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152403", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEVITERONEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152403, "molecule_chembl_id": "CHEMBL3264610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.34", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Seviteronel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152406", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILSICAINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152406, "molecule_chembl_id": "CHEMBL163238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pilsicainide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148039", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACLOPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148039, "molecule_chembl_id": "CHEMBL8809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.24", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "raclopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149360", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149360, "molecule_chembl_id": "CHEMBL514800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Apremilast (CC-10004)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149363", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIPAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149363, "molecule_chembl_id": "CHEMBL18772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.28", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUIPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2nc(N3CCNCC3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150056", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXEGOL OXALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150056, "molecule_chembl_id": "CHEMBL2219416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "741.83", "alogp": "1.86", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Naloxegol (oxalate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149367", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBENZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149367, "molecule_chembl_id": "CHEMBL1625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-HYDROXY-4-METHOXY-BENZOPHENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149375", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149375, "molecule_chembl_id": "CHEMBL7130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.72", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD081715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955562", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955562, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carmofur\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149227", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRAVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149227, "molecule_chembl_id": "CHEMBL308954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.29", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etravirine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149402", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VACTOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149402, "molecule_chembl_id": "CHEMBL3260567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EW-7197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153906", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAFETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153906, "molecule_chembl_id": "CHEMBL206834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.63", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BAFETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148782", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SDX-101", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148782, "molecule_chembl_id": "CHEMBL1716091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(R)-Etodolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENSERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149411, "molecule_chembl_id": "CHEMBL74926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenserine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153915", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153915, "molecule_chembl_id": "CHEMBL4538425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.32", "alogp": "3.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COBIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C2CCCCN2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154137", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154137, "molecule_chembl_id": "CHEMBL393525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.29", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-75"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153777", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PELITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153777, "molecule_chembl_id": "CHEMBL607707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.93", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pelitinib (EKB-569)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149074", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149074, "molecule_chembl_id": "CHEMBL1437065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.13", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153931", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOXANTRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153931, "molecule_chembl_id": "CHEMBL58", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.49", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MITOXANTRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153935", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGITOXIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153935, "molecule_chembl_id": "CHEMBL1453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "digitoxigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149433", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149433, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153662", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLECALCIFEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153662, "molecule_chembl_id": "CHEMBL1042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHOLECALCIFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147515", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147515, "molecule_chembl_id": "CHEMBL1354658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.36", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY 59-3074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148344", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148344, "molecule_chembl_id": "CHEMBL143181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.35", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-226600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152848", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLODIPINE BESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152848, "molecule_chembl_id": "CHEMBL1200402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.06", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLODIPINE BESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148496", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148496, "molecule_chembl_id": "CHEMBL2354521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.86", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxyfedrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152189", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-680632", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152189, "molecule_chembl_id": "CHEMBL363160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.64", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHA-680632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148087", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148087, "molecule_chembl_id": "CHEMBL1711621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QX-222"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152786", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152786, "molecule_chembl_id": "CHEMBL237352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.54", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tie2 kinase inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(-c3nc(-c4ccc([S+](C)[O-])cc4)[nH]c3-c3ccncc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152482", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152482, "molecule_chembl_id": "CHEMBL1421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.02", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dasatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147979, "molecule_chembl_id": "CHEMBL394259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HUPERZINE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148158", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148158, "molecule_chembl_id": "CHEMBL3187944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinnamaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CC=Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152793", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152793, "molecule_chembl_id": "CHEMBL3646117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.33", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152488", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152488, "molecule_chembl_id": "CHEMBL1234797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 1 [PMID: 15724976]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNc1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147986", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147986, "molecule_chembl_id": "CHEMBL27759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.42", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Entinostat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147995", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-MEXILETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147995, "molecule_chembl_id": "CHEMBL147507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEXILETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OC[C@@H](C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152561", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRICICLIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152561, "molecule_chembl_id": "CHEMBL1206245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.42", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Briciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152562", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152562, "molecule_chembl_id": "CHEMBL45281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.20", "alogp": "6.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NBI-27914"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152679", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152679, "molecule_chembl_id": "CHEMBL1224151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "E 2012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152685", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152685, "molecule_chembl_id": "CHEMBL134074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-504393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148707", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRL-15,572", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148707, "molecule_chembl_id": "CHEMBL534232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.96", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-15572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148710", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148710, "molecule_chembl_id": "CHEMBL44657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.56", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Etoposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147870", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOLEVULINIC ACID HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147870, "molecule_chembl_id": "CHEMBL1200582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.59", "alogp": "-0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOLEVULINIC_acid HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148714", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSPIRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148714, "molecule_chembl_id": "CHEMBL1200399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.97", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUSPIRONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148196", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENETHYLBORONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148196, "molecule_chembl_id": "CHEMBL20461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.99", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PHENETHYLBORONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147877", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147877, "molecule_chembl_id": "CHEMBL3393333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.50", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-3511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147972", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNARIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147972, "molecule_chembl_id": "CHEMBL552659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.43", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "flunarizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960147", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITAFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960147, "molecule_chembl_id": "CHEMBL108821", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.82", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sitafloxacin hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.767", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960148", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLBUTAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960148, "molecule_chembl_id": "CHEMBL101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYLBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960150", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960150, "molecule_chembl_id": "CHEMBL3311302", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH-7614"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960154", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-778123", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960154, "molecule_chembl_id": "CHEMBL4297396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.35", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-778123 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960160", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMBITASVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960160, "molecule_chembl_id": "CHEMBL3127326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "894.13", "alogp": "7.69", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ombitasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960162", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETANILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960162, "molecule_chembl_id": "CHEMBL269644", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "135.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETANILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956410", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956410, "molecule_chembl_id": "CHEMBL2419706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.59", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-TNKS656"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956415", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956415, "molecule_chembl_id": "CHEMBL228654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961077", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIOCAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961077, "molecule_chembl_id": "CHEMBL1091024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "898.05", "alogp": "3.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Midecamycin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961278", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961278, "molecule_chembl_id": "CHEMBL17329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "erbstatin-analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cc(O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152197", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152197, "molecule_chembl_id": "CHEMBL2148074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.61", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL2148074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1-c1c[nH]nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147695", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147695, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147701", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147701, "molecule_chembl_id": "CHEMBL1430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "D-Penicillamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147707", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2334737", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147707, "molecule_chembl_id": "CHEMBL577711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.40", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2334737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147714", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147714, "molecule_chembl_id": "CHEMBL2106753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.33", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fluprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152251", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152251, "molecule_chembl_id": "CHEMBL1236821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.13", "alogp": "-2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xylose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149248", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149248, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "RIFAXIMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149255", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIZORIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149255, "molecule_chembl_id": "CHEMBL245019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.22", "alogp": "-2.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mizoribine (Bredinin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148269", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148269, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147886", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147886, "molecule_chembl_id": "CHEMBL29134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL29134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149362", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149362, "molecule_chembl_id": "CHEMBL2047521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.64", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-069673"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154558", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154558, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eltrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149679", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIROXOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149679, "molecule_chembl_id": "CHEMBL1078685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Topiroxostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961248", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961248, "molecule_chembl_id": "CHEMBL216735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GP2a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960019", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOLIBRESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960019, "molecule_chembl_id": "CHEMBL1232461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.90", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "I-BET-762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.376", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960781", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINTRIAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960781, "molecule_chembl_id": "CHEMBL2107098", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINTRIAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.769", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(N)=O)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961355", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TONABERSAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961355, "molecule_chembl_id": "CHEMBL318191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tonabersat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153883", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BORTEZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153883, "molecule_chembl_id": "CHEMBL325041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "BORTEZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960139", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADIPIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960139, "molecule_chembl_id": "CHEMBL1157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adipic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMEGRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149126, "molecule_chembl_id": "CHEMBL1214192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bemegride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153628", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUBERMATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153628, "molecule_chembl_id": "CHEMBL2022968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.07", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TP-0903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955531", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOXORIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955531, "molecule_chembl_id": "CHEMBL292008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.31", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Loxoribine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152552", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URSODIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152552, "molecule_chembl_id": "CHEMBL1551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URSODIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148160", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148160, "molecule_chembl_id": "CHEMBL1271117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML094"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152665", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152665, "molecule_chembl_id": "CHEMBL304428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-218078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148162", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AXITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148162, "molecule_chembl_id": "CHEMBL1289926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.48", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Axitinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152667", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152667, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BEXAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148165", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148165, "molecule_chembl_id": "CHEMBL1256773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.25", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-205-557"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148056", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMEGLIMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148056, "molecule_chembl_id": "CHEMBL4297514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.21", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Imeglimin (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1N=C(N(C)C)N=C(N)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152677", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152677, "molecule_chembl_id": "CHEMBL1518572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.44", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152689", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152689, "molecule_chembl_id": "CHEMBL63064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DAA-1106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148189", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148189, "molecule_chembl_id": "CHEMBL3589010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.45", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iCRT-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C2\\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148194", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPIRIMUS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148194, "molecule_chembl_id": "CHEMBL2105168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "napirimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)c2cccc3ccccc23)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148195", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148195, "molecule_chembl_id": "CHEMBL1530581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.36", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-oxydiethylenebenzothiazole-2-sulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SN3CCOCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153223", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENISTEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153223, "molecule_chembl_id": "CHEMBL44", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GENISTEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147971", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147971, "molecule_chembl_id": "CHEMBL392525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.03", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT129202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(Cl)cnc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148082", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148082, "molecule_chembl_id": "CHEMBL1483237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tremorine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(#CCN1CCCC1)CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960295", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CREATININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960295, "molecule_chembl_id": "CHEMBL65567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "113.12", "alogp": "-1.23", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Creatinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.489", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N=C1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959832", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROQUINIMEX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959832, "molecule_chembl_id": "CHEMBL11672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "roquinimex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955582", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESVENLAFAXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955582, "molecule_chembl_id": "CHEMBL1118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desvenlafaxine succinate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955537", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955537, "molecule_chembl_id": "CHEMBL442218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.16", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Procysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959858", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FAVIPIRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959858, "molecule_chembl_id": "CHEMBL221722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "157.10", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "favipiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(F)cnc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964468", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLTIPRAZ", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964468, "molecule_chembl_id": "CHEMBL178459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oltipraz\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2cnccn2)ssc1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148955", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HIPPURIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148955, "molecule_chembl_id": "CHEMBL461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hippuric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153711", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153711, "molecule_chembl_id": "CHEMBL200027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.64", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153712", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153712, "molecule_chembl_id": "CHEMBL3407862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.62", "alogp": "6.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-PERK-44"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2cc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153713", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153713, "molecule_chembl_id": "CHEMBL2436978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URMC-099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149016", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAGUANIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149016, "molecule_chembl_id": "CHEMBL338802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153725", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROSPINGOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153725, "molecule_chembl_id": "CHEMBL448741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.52", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dihydrosphingosine; D-erythro"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153104", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153104, "molecule_chembl_id": "CHEMBL322970", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.73", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 415286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153110", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153110, "molecule_chembl_id": "CHEMBL16073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENACETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(C)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153114", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153114, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153117", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOMEPIRAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153117, "molecule_chembl_id": "CHEMBL19490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.73", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOMEPIRAC SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148613", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHYTOSPHINGOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148613, "molecule_chembl_id": "CHEMBL236036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.51", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phytosphingosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960206", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARDOPRUNOX HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960206, "molecule_chembl_id": "CHEMBL2105649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.73", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pardoprunox (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc3[nH]c(=O)oc23)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960486", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOPROSTENOL SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960486, "molecule_chembl_id": "CHEMBL1520583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.90", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cloprostenol-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955711", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955711, "molecule_chembl_id": "CHEMBL330038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "-2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S)-5-Amino-2-(2-aminoacetamido)-5-oxopentanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148622", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBINAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148622, "molecule_chembl_id": "CHEMBL413965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELBINAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153131", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEVONEDISTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153131, "molecule_chembl_id": "CHEMBL2364622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.99", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pevonedistat hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148627, "molecule_chembl_id": "CHEMBL221265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "935.01", "alogp": "8.31", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "TPPS4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc(c(-c5ccc(S(=O)(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153134", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIGUSTRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153134, "molecule_chembl_id": "CHEMBL303697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylpyrazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(C)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148629", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZEMETOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148629, "molecule_chembl_id": "CHEMBL3414621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.75", "alogp": "4.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tazemetostat (EPZ-6438)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148638", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148638, "molecule_chembl_id": "CHEMBL1972294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.62", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORNITHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148644", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148644, "molecule_chembl_id": "CHEMBL586830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.31", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "F16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148646", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148646, "molecule_chembl_id": "CHEMBL4303278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.37", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anthranilic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148648", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148648, "molecule_chembl_id": "CHEMBL576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.09", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "succinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153155", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETEROBARB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153155, "molecule_chembl_id": "CHEMBL327407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eterobarb"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955862", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFERASIROX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955862, "molecule_chembl_id": "CHEMBL550348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferasirox\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956243", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FILANESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956243, "molecule_chembl_id": "CHEMBL2347655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FILANESIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISPHENOL A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961533, "molecule_chembl_id": "CHEMBL418971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bisphenol-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154098", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154098, "molecule_chembl_id": "CHEMBL3401461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.65", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "compound 2 [PMID: 24793972]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154362", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMRUBICIN", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154362, "molecule_chembl_id": "CHEMBL1186894", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "483.47", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147779", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147779, "molecule_chembl_id": "CHEMBL4303415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "-2.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LM-22A4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147786", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147786, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147947", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147947, "molecule_chembl_id": "CHEMBL2169919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "2.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ004777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152467", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152467, "molecule_chembl_id": "CHEMBL1413473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.35", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153008", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMETASONE FUROATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153008, "molecule_chembl_id": "CHEMBL1161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.44", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MOMETASONE FUROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153221", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEQUALINIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153221, "molecule_chembl_id": "CHEMBL333826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.68", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEQUALINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153021", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FALECALCITRIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153021, "molecule_chembl_id": "CHEMBL2106158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.59", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Falecalcitriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153035", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHA-793887", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153035, "molecule_chembl_id": "CHEMBL1230607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.49", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PHA-793887"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148426", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148426, "molecule_chembl_id": "CHEMBL4303533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Pixantrone (dimaleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152411, "molecule_chembl_id": "CHEMBL3183495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Safranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C=O)C(C)(C)CC=C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147909", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUZINDOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147909, "molecule_chembl_id": "CHEMBL286615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "luzindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152339", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152339, "molecule_chembl_id": "CHEMBL4303325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.36", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-methoxyphenyl 2-(4-isobutylphenyl)propanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(OC(=O)c2cccs2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152340", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152340, "molecule_chembl_id": "CHEMBL259850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-A014418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148676", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148676, "molecule_chembl_id": "CHEMBL106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.28", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147837", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARLAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147837, "molecule_chembl_id": "CHEMBL1255891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "707.98", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Narlaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153441", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153441, "molecule_chembl_id": "CHEMBL2381340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.82", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XMD17-109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148828", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148828, "molecule_chembl_id": "CHEMBL3597952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.49", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACT-462206"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153334", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153334, "molecule_chembl_id": "CHEMBL3421914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.60", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DDR1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148946", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148946, "molecule_chembl_id": "CHEMBL4303658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.33", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TA-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148949", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDOSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148949, "molecule_chembl_id": "CHEMBL1697744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERDOSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSCC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153343", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-42", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153343, "molecule_chembl_id": "CHEMBL191482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AR-42 (HDAC-42)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148846", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148846, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CX-4945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146044", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146044, "molecule_chembl_id": "CHEMBL4303586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PDE10-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C)n2nc([C@@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147043", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147043, "molecule_chembl_id": "CHEMBL4303167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1093.33", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Caspofungin (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@@H](O)[C@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151059", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTEMOTIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151059, "molecule_chembl_id": "CHEMBL301267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artemotil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147060", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147060, "molecule_chembl_id": "CHEMBL542414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.86", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151564", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151564, "molecule_chembl_id": "CHEMBL1728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.81", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOMEFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146565", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146565, "molecule_chembl_id": "CHEMBL1411693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "epirizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)nc(-n2nc(C)cc2OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151330", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLE-3-BUTYRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151330, "molecule_chembl_id": "CHEMBL582878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Indolebutyric_acid (IBA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151419", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIOCAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151419, "molecule_chembl_id": "CHEMBL1091024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "898.05", "alogp": "3.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Midecamycin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151423", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151423, "molecule_chembl_id": "CHEMBL3392645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.88", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147146", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLDIMETHYLPIPERAZINIUM IODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147146, "molecule_chembl_id": "CHEMBL1785001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.14", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-acetyl-1;1-dimethylpiperazinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CC[N+](C)(C)CC1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151429", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151429, "molecule_chembl_id": "CHEMBL139367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PERAMIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151285", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151285, "molecule_chembl_id": "CHEMBL1230080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.12", "alogp": "-2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLANTOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151399", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151399, "molecule_chembl_id": "CHEMBL918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENACEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NC(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151969", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-208", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151969, "molecule_chembl_id": "CHEMBL496102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.41", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMG-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151614", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGADENOSON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151614, "molecule_chembl_id": "CHEMBL317052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.36", "alogp": "-2.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGADENOSON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151615", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VICRIVIROC MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151615, "molecule_chembl_id": "CHEMBL2107384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.71", "alogp": "4.50", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Vicriviroc (maleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151832", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151832, "molecule_chembl_id": "CHEMBL1557167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "norcyclobenzaprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151244", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMOTRIPTAN MALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151244, "molecule_chembl_id": "CHEMBL1200521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.56", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Almotriptan malate (Axert)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151835", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151835, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TENATOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151477, "molecule_chembl_id": "CHEMBL1316726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-Urocanic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146749", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146749, "molecule_chembl_id": "CHEMBL411221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151253", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151253, "molecule_chembl_id": "CHEMBL3186656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.97", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-5274857"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146988", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146988, "molecule_chembl_id": "CHEMBL1200756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDOXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CO)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154369", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154369, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaguanine-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11210.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153098", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153098, "molecule_chembl_id": "CHEMBL1200798", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.33", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148596", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148596, "molecule_chembl_id": "CHEMBL4520674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.36", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-678"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@H]1c1ccc(C#N)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152738", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152738, "molecule_chembl_id": "CHEMBL4571169", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.21", "alogp": "-1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MITOGUAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C=NNC(=N)N)=NNC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148300", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIALAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148300, "molecule_chembl_id": "CHEMBL1256841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148971", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELINOGREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148971, "molecule_chembl_id": "CHEMBL2103828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.96", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "elinogrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152810", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152810, "molecule_chembl_id": "CHEMBL3185148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.32", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-98014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148975", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148975, "molecule_chembl_id": "CHEMBL4303285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.30", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Picrotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)[C@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147810", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147810, "molecule_chembl_id": "CHEMBL4164286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.26", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NK-252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152320", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152320, "molecule_chembl_id": "CHEMBL4303485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1664.92", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Thiostrepton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@](C)(O)[C@@H](C)O)NC(=O)[C@H]5CSC(=N5)/C(=C/C)NC(=O)C([C@@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)C([C@@H](C)CC)NC2C=Cc3c([C@H](C)O)cc(nc3C2O)C(=O)O[C@@H]4C)n1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOLINIUM TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147816, "molecule_chembl_id": "CHEMBL1318287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.59", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pentolinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152322", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152322, "molecule_chembl_id": "CHEMBL4303657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.88", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-316819"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149025", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149025, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148435", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148435, "molecule_chembl_id": "CHEMBL4278946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.30", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD5904"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148978", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148978, "molecule_chembl_id": "CHEMBL1213420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "droxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152330", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SENICAPOC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152330, "molecule_chembl_id": "CHEMBL405821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Senicapoc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147831", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147831, "molecule_chembl_id": "CHEMBL457530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "asymmetrical-dimethylarginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146396", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEGILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146396, "molecule_chembl_id": "CHEMBL489079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.23", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOFEGILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC/C(=C/F)CCc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150509", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150509, "molecule_chembl_id": "CHEMBL4303566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.29", "alogp": "-2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "API-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146719", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146719, "molecule_chembl_id": "CHEMBL1488819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "-2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DYPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151297", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151297, "molecule_chembl_id": "CHEMBL4303516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.45", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imidapril HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151238", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHEMANIL METHYLSULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151238, "molecule_chembl_id": "CHEMBL1200880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.52", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diphemanil Methylsulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146803", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146803, "molecule_chembl_id": "CHEMBL1230488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hydroxyectoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=N[C@H](C(=O)O)[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146804", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146804, "molecule_chembl_id": "CHEMBL134859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-89843"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(N3CCCC3)nc(N3CCCC3)nc2n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151461", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151461, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYL NICOTINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151464", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151464, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALDECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147232", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147232, "molecule_chembl_id": "CHEMBL158507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1;3-dipropyl-8-phenylxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147728", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147728, "molecule_chembl_id": "CHEMBL1613220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.47", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMN-082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152152", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152152, "molecule_chembl_id": "CHEMBL1650951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.52", "alogp": "3.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-21311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152239", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152239, "molecule_chembl_id": "CHEMBL296908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.55", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fuscoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152166", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEOXYCHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152166, "molecule_chembl_id": "CHEMBL406393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deoxycholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152172", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152172, "molecule_chembl_id": "CHEMBL2069623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.82", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4800567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147667", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147667, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mofezolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961449", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961449, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5735", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-256066", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956394, "molecule_chembl_id": "CHEMBL570015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.60", "alogp": "3.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GSK256066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148697", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DNQX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148697, "molecule_chembl_id": "CHEMBL155265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DNQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955583", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAMIRACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955583, "molecule_chembl_id": "CHEMBL159776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pramiracetam hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960362", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMEDASTINE DIFUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960362, "molecule_chembl_id": "CHEMBL2103739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emedastine difumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960431", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960431, "molecule_chembl_id": "CHEMBL379761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.87", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-FPR-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955595", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955595, "molecule_chembl_id": "CHEMBL244403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "6.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SAB-378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955545", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955545, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MMV001438"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960435", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960435, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Evacetrapib (LY2484595)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960325", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GTS-21", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960325, "molecule_chembl_id": "CHEMBL134713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GTS21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2\\CCCN=C2c2cccnc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956361", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOLCITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956361, "molecule_chembl_id": "CHEMBL3301606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SOLCITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961544", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961544, "molecule_chembl_id": "CHEMBL105867", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.54", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ceramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151989", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIPASUDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151989, "molecule_chembl_id": "CHEMBL3426621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.39", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ripasudil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151995", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151995, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emtricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147496", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147496, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinine hemisulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147497", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147497, "molecule_chembl_id": "CHEMBL409024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.19", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-040"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(-c2ccc(Cl)cc2Cl)cc(CP(=O)(O)O)c1O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152007", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152007, "molecule_chembl_id": "CHEMBL1612198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.58", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-12783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153411, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sotrastaurin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153715", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILARALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153715, "molecule_chembl_id": "CHEMBL3360203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "541.03", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Pilaralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149217", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMEDASTINE DIFUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149217, "molecule_chembl_id": "CHEMBL2103739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emedastine difumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150528", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150528, "molecule_chembl_id": "CHEMBL276679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.45", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dorzolamide HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150534", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORCETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150534, "molecule_chembl_id": "CHEMBL479527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "600.48", "alogp": "8.20", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Torcetrapib (CP-529414)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151133", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARBACLOFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151133, "molecule_chembl_id": "CHEMBL301742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(R)-Baclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146508", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PELANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146508, "molecule_chembl_id": "CHEMBL2110706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pelanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150768", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150768, "molecule_chembl_id": "CHEMBL2179319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.45", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNJ-42153605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146268", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146268, "molecule_chembl_id": "CHEMBL134915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.46", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 61-8048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146272", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146272, "molecule_chembl_id": "CHEMBL65433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.30", "alogp": "-4.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "imidurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145987", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPROMORELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145987, "molecule_chembl_id": "CHEMBL113313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.62", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CAPROMORELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146002", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146002, "molecule_chembl_id": "CHEMBL377219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.16", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-438079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153346", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153346, "molecule_chembl_id": "CHEMBL4303253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.00", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-887826"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(-c2cncc(C(=O)NCc3cccnc3N3CCOCC3)c2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153456", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153456, "molecule_chembl_id": "CHEMBL1610678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETAMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153351", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153351, "molecule_chembl_id": "CHEMBL3590106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.34", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ulixertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153410", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153410, "molecule_chembl_id": "CHEMBL1966403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.75", "alogp": "2.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "rosamicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)/C=C/C2(C)OC2C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145681", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145681, "molecule_chembl_id": "CHEMBL56542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 528"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146013", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW-274150", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146013, "molecule_chembl_id": "CHEMBL114551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.31", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW274150"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCCSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EGLUMETAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146015, "molecule_chembl_id": "CHEMBL8759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eglumegad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146024", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOBENDAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146024, "molecule_chembl_id": "CHEMBL24646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pimobendan\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955578", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDRALAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955578, "molecule_chembl_id": "CHEMBL276832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955893", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMEXADOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955893, "molecule_chembl_id": "CHEMBL578767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.22", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flumexadol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1cccc(C2CNCCO2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151093", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151093, "molecule_chembl_id": "CHEMBL4303282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betapar (Meprednisone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150439", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150439, "molecule_chembl_id": "CHEMBL4303639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.93", "alogp": "7.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "neurodazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148984", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148984, "molecule_chembl_id": "CHEMBL515271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.30", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151535", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151535, "molecule_chembl_id": "CHEMBL4303621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "899.13", "alogp": "5.91", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DORAMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152073", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALIBENDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152073, "molecule_chembl_id": "CHEMBL2105999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alibendol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146046", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146046, "molecule_chembl_id": "CHEMBL129677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.34", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 77-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147581", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RU-58841", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147581, "molecule_chembl_id": "CHEMBL9337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 58841"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147061", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(D)-SERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147061, "molecule_chembl_id": "CHEMBL285123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.09", "alogp": "-1.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-Serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147591", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SISOMICIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147591, "molecule_chembl_id": "CHEMBL3989471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1385.46", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sisomicin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147592", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECLIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147592, "molecule_chembl_id": "CHEMBL20835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.22", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-aceclidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146921", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146921, "molecule_chembl_id": "CHEMBL2425486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "686.70", "alogp": "-2.23", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Secoisolariciresinol Diglucoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146085", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP1-1189", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146085, "molecule_chembl_id": "CHEMBL4297369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CPI-1189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150639", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALTOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150639, "molecule_chembl_id": "CHEMBL1765291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaltoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151119", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151119, "molecule_chembl_id": "CHEMBL4303190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.67", "alogp": "9.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Pentacosanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150588", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150588, "molecule_chembl_id": "CHEMBL95606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cytarabine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146055", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146055, "molecule_chembl_id": "CHEMBL1325297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.55", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMEBUTINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146769", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146769, "molecule_chembl_id": "CHEMBL3086524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.22", "alogp": "-2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5;6-dihydro-5-aza-2'-deoxycytidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146916", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146916, "molecule_chembl_id": "CHEMBL1498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "desoxycortone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150937", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATENOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150937, "molecule_chembl_id": "CHEMBL24", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002564193"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151348", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151348, "molecule_chembl_id": "CHEMBL2375681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carazolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150464", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESTRANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150464, "molecule_chembl_id": "CHEMBL1201151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESTRANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150472", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERGOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150472, "molecule_chembl_id": "CHEMBL531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.50", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pergolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145973", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145973, "molecule_chembl_id": "CHEMBL73149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xanomeline (oxalate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150476", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPHENYLPIPERAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150476, "molecule_chembl_id": "CHEMBL478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CHLOROPHENYLPIPERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(N2CCNCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955965", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFPROZIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955965, "molecule_chembl_id": "CHEMBL276568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cefprozil monohydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956640", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN 23", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956640, "molecule_chembl_id": "CHEMBL76904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG 18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960204", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NBQX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960204, "molecule_chembl_id": "CHEMBL222519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955706", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955706, "molecule_chembl_id": "CHEMBL43185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.34", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Piperine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960210", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GR-127935", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960210, "molecule_chembl_id": "CHEMBL15928", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.60", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GR-127935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.884", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955943", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIMUSTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955943, "molecule_chembl_id": "CHEMBL136737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.70", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nimustine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153031", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCETINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153031, "molecule_chembl_id": "CHEMBL272980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mocetinostat dihydrobromide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148538", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELITRECTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148538, "molecule_chembl_id": "CHEMBL4297627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.43", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LOXO-195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148430", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148430, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152937", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152937, "molecule_chembl_id": "CHEMBL27577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152938", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINAFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152938, "molecule_chembl_id": "CHEMBL278255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.79", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLINAFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152939", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152939, "molecule_chembl_id": "CHEMBL3786182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2879552"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148730", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZAPERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148730, "molecule_chembl_id": "CHEMBL340211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZAPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153240", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153240, "molecule_chembl_id": "CHEMBL639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.91", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153242", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMIPALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153242, "molecule_chembl_id": "CHEMBL1236962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.51", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OMIPALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153166", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1080", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153166, "molecule_chembl_id": "CHEMBL1969664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD1080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153167", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UFIPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153167, "molecule_chembl_id": "CHEMBL892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Omeprazole sulphide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148663, "molecule_chembl_id": "CHEMBL66089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.34", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153313", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMOL IODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153313, "molecule_chembl_id": "CHEMBL1482931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "550.22", "alogp": "7.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Thymol iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148812", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148812, "molecule_chembl_id": "CHEMBL2178134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.40", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-7915"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153181", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BATIMASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153181, "molecule_chembl_id": "CHEMBL279786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.65", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BATIMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148439", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148439, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Reparixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148442", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148442, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152948", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152948, "molecule_chembl_id": "CHEMBL1956071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.36", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-772077B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@H](N)C3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152950", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152950, "molecule_chembl_id": "CHEMBL1422849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.46", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146956", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146956, "molecule_chembl_id": "CHEMBL4303178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.64", "alogp": "2.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "colforsin-daproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151460", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESORIDAZINE BESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151460, "molecule_chembl_id": "CHEMBL1201052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.76", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mesoridazine besylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150909", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150909, "molecule_chembl_id": "CHEMBL4588354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.25", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NCS-382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C1/CCCc2ccccc2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151414", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151414, "molecule_chembl_id": "CHEMBL332148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-monomethylarginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](CCCNC(=N)N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150250", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150250, "molecule_chembl_id": "CHEMBL2426369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-926"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cccc(Br)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150252", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150252, "molecule_chembl_id": "CHEMBL1232313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.33", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOMOIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149979, "molecule_chembl_id": "CHEMBL4303679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.59", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-1100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150657", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANABENZ ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150657, "molecule_chembl_id": "CHEMBL1200560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.14", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANABENZ ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150215", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150215, "molecule_chembl_id": "CHEMBL3186202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "drospirenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154485", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154485, "molecule_chembl_id": "CHEMBL1336727", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thiothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150455", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150455, "molecule_chembl_id": "CHEMBL1555751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.89", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149817", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149817, "molecule_chembl_id": "CHEMBL2139597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.27", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PILOCARPINE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)OC[C@@H]1CC1=CN=C[NH+]1C.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147102", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147102, "molecule_chembl_id": "CHEMBL4303532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.51", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cccc(-c2ccccc2)c1)C(=O)Oc1ccc(-c2ccc(C(N)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147187", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147187, "molecule_chembl_id": "CHEMBL1622371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.50", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINPA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148149", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREXASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148149, "molecule_chembl_id": "CHEMBL3544911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.40", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PREXASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152396", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152396, "molecule_chembl_id": "CHEMBL3356976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.39", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JW-642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150925", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACETAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150925, "molecule_chembl_id": "CHEMBL455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151035", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151035, "molecule_chembl_id": "CHEMBL2331803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.75", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-60-0175 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146237", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146237, "molecule_chembl_id": "CHEMBL396097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.26", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD041258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150743", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAGOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150743, "molecule_chembl_id": "CHEMBL290962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.57", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinagolide (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150890", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150890, "molecule_chembl_id": "CHEMBL172988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.06", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pentadecafluorooctanoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146500", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146500, "molecule_chembl_id": "CHEMBL3901007", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "549.42", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KML29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145564", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145564, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU7441(KU-57788)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956179", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMAPATRILAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956179, "molecule_chembl_id": "CHEMBL289556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.55", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OMAPATRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960954", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUPHENAZINE DECANOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960954, "molecule_chembl_id": "CHEMBL1200854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.78", "alogp": "8.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Fluphenazine decanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145569", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145569, "molecule_chembl_id": "CHEMBL1566492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.37", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AKR1C3-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961394", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFORANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961394, "molecule_chembl_id": "CHEMBL1201046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "-0.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ceforanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-38.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145581", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145581, "molecule_chembl_id": "CHEMBL4303572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.18", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-3623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145585", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145585, "molecule_chembl_id": "CHEMBL29197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.21", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960968", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960968, "molecule_chembl_id": "CHEMBL1201059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.20", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROGUANIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960118", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DABRAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960118, "molecule_chembl_id": "CHEMBL2028663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dabrafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.767", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960119", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960119, "molecule_chembl_id": "CHEMBL1716983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enisamium-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960973", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960973, "molecule_chembl_id": "CHEMBL11919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-methylhistamine-dihydrobromide-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.421", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960124", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERTUGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960124, "molecule_chembl_id": "CHEMBL1770248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.89", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ertugliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956205", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIPARGAMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956205, "molecule_chembl_id": "CHEMBL1082723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.25", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cipargamin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956625", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956625, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "QUIFLAPON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956212", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956212, "molecule_chembl_id": "CHEMBL4472508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.54", "alogp": "6.57", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cintirorgon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(OC(F)F)c3)ccc2O1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956629", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEZACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956629, "molecule_chembl_id": "CHEMBL3544914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.50", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TEZACAFTOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956184", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956184, "molecule_chembl_id": "CHEMBL3891221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.79", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06409577"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956185", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEANONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956185, "molecule_chembl_id": "CHEMBL470029", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.70", "alogp": "7.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEANONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961315", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961315, "molecule_chembl_id": "CHEMBL2017291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.45", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BET151 (GSK1210151A)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956539", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956539, "molecule_chembl_id": "CHEMBL1775179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APD668"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960928", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOCETIRIZINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960928, "molecule_chembl_id": "CHEMBL1201190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOCETIRIZINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.294", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956597", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956597, "molecule_chembl_id": "CHEMBL598608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.79", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK3787"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956150", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956150, "molecule_chembl_id": "CHEMBL4522930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI605906"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(F)(F)c1cc(N2CCC(S(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956151", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "E-64", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956151, "molecule_chembl_id": "CHEMBL374508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.41", "alogp": "-1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835790", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALINOMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835790, "molecule_chembl_id": "CHEMBL1208572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "salinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.357", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830761", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUTEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830761, "molecule_chembl_id": "CHEMBL173929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.89", "alogp": "10.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LUTEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830456", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUBEROHYDROXAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830456, "molecule_chembl_id": "CHEMBL320497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SBHA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)NO)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835140", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOCTIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835140, "molecule_chembl_id": "CHEMBL134342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lipoic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1CCSS1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830451", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIGOXIGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830451, "molecule_chembl_id": "CHEMBL1153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIGOXIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835708", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETRIXABAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835708, "molecule_chembl_id": "CHEMBL512351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.91", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betrixaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004778", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835712", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMEGEPANT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835712, "molecule_chembl_id": "CHEMBL2178422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "4.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BMS-927711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2662", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835369", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOCLOPRAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835369, "molecule_chembl_id": "CHEMBL86", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.80", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metoclopramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1755", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835775", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835775, "molecule_chembl_id": "CHEMBL437765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.75", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifamycin SV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1815", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830541", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830541, "molecule_chembl_id": "CHEMBL1201171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAMOXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830740", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADIPHENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830740, "molecule_chembl_id": "CHEMBL555654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.89", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADIPHENINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835742", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835742, "molecule_chembl_id": "CHEMBL564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835864", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.193986953,0.043155252)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COBICISTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835864, "molecule_chembl_id": "CHEMBL2095208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.04", "alogp": "6.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cobicistat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835866", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CONIVAPTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835866, "molecule_chembl_id": "CHEMBL1755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.59", "alogp": "6.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Conivaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830638", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830638, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIMONACIC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835719", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFLOMEDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835719, "molecule_chembl_id": "CHEMBL188921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Buflomedil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835818", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XIPAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835818, "molecule_chembl_id": "CHEMBL517199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.82", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Xipamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835128", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELMESTEINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835128, "molecule_chembl_id": "CHEMBL2107621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "telmesteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3645", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CSC[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835148", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPIRACIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835148, "molecule_chembl_id": "CHEMBL235668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.67", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tipiracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1CCCN1Cc1nc(O)nc(O)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835795", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELAMECTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835795, "molecule_chembl_id": "CHEMBL1908325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "769.97", "alogp": "6.07", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "selamectin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149569", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149569, "molecule_chembl_id": "CHEMBL342375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.46", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XE-991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154077", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "9,10-PHENANTHRENEQUINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154077, "molecule_chembl_id": "CHEMBL51931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "9,10-PHENANTHRENEQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147272", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMOCAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147272, "molecule_chembl_id": "CHEMBL1407844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.43", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fomocain"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149322", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYL ISOTHIOCYANATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149322, "molecule_chembl_id": "CHEMBL55285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYL ISOTHIOCYANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C=NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAFURAMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149663, "molecule_chembl_id": "CHEMBL319669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pafuramidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149324", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVOXAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149324, "molecule_chembl_id": "CHEMBL814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluvoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154287", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.46", "bao_label": "organism-based format", "molecule_pref_name": "GSK-369796", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154287, "molecule_chembl_id": "CHEMBL147806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "N-tert-Butylisoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3430.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154483", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154483, "molecule_chembl_id": "CHEMBL3393171", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "242.30", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thienopyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150219", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150219, "molecule_chembl_id": "CHEMBL205596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956049", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URSOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956049, "molecule_chembl_id": "CHEMBL169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "(+)-Ursolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960957", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMEGUATRIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960957, "molecule_chembl_id": "CHEMBL339133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.18", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lomeguatrib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.561", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150078", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150078, "molecule_chembl_id": "CHEMBL4303429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;6;6-trimethylbicyclo[3.1.1]heptane-2;3-diol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154507", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "WIN-552122", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154507, "molecule_chembl_id": "CHEMBL188", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "426.52", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WIN 55,212-2 (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7060.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956921", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956921, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZOBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149565", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149565, "molecule_chembl_id": "CHEMBL1672293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.62", "alogp": "2.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)N=c2s/c(=C\\c3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(SC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151504", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMATEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151504, "molecule_chembl_id": "CHEMBL1374751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.29", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cimaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(N)c(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956872", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956872, "molecule_chembl_id": "CHEMBL4169078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.35", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCT245737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(C(F)(F)F)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956878", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPERMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956878, "molecule_chembl_id": "CHEMBL23194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.35", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPERMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956893", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956893, "molecule_chembl_id": "CHEMBL13786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.67", "alogp": "-0.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Met-Enkephalin (trifluoroacetate salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145789", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145789, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146451", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACITAZANOLAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146451, "molecule_chembl_id": "CHEMBL2104654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.19", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acitazanolast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145759", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145759, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIMONACIC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146369", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTAROLINE FOSAMIL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146369, "molecule_chembl_id": "CHEMBL3544973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "762.77", "alogp": "-0.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ceftaroline-fosamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145764", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIPERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145764, "molecule_chembl_id": "CHEMBL267930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.48", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPIPERONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145728", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTODOXONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145728, "molecule_chembl_id": "CHEMBL253144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cortodoxone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145929", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RICOLINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145929, "molecule_chembl_id": "CHEMBL2364628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RICOLINOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150158", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150158, "molecule_chembl_id": "CHEMBL161702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPA inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)CN(O)C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149084", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARBUTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149084, "molecule_chembl_id": "CHEMBL232202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.25", "alogp": "-1.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Arbutin (Uva; p-Arbutin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149252", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149252, "molecule_chembl_id": "CHEMBL493076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.37", "alogp": "3.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152923", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152923, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Mubritinib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149309", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGENIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149309, "molecule_chembl_id": "CHEMBL284616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.31", "alogp": "-0.65", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Chlorogenic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148662", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148662, "molecule_chembl_id": "CHEMBL3741589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.24", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-971432"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154476", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154476, "molecule_chembl_id": "CHEMBL565269", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-62247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31500.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154395", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DEGARELIX", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154395, "molecule_chembl_id": "CHEMBL415606", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1632.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Degarelix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149913", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149913, "molecule_chembl_id": "CHEMBL165084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.27", "alogp": "-3.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-Acetylneuraminic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150320", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1400W", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150320, "molecule_chembl_id": "CHEMBL107251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.25", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1400W dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCc1cccc(CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153676", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINIMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153676, "molecule_chembl_id": "CHEMBL3187723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.23", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BINIMETINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153801", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153801, "molecule_chembl_id": "CHEMBL4303508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP 673451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153608", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153608, "molecule_chembl_id": "CHEMBL4303425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSN-375963"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154408", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154408, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "610.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149724", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149724, "molecule_chembl_id": "CHEMBL1314877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.26", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENILCONAZOLE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153857", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153857, "molecule_chembl_id": "CHEMBL3577124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.52", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY3009120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153275", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153275, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARIPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153406", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153406, "molecule_chembl_id": "CHEMBL4303685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.46", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HLCL-61 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148906", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148906, "molecule_chembl_id": "CHEMBL4303334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.64", "alogp": "-3.88", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NOV-002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148021", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMUSTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148021, "molecule_chembl_id": "CHEMBL136737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.70", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nimustine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148024", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELAIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148024, "molecule_chembl_id": "CHEMBL1238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.22", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELAIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150323", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVANICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150323, "molecule_chembl_id": "CHEMBL132966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RJR 2403 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150198", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AXITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150198, "molecule_chembl_id": "CHEMBL1289926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.48", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "axitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147250", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALIDROSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147250, "molecule_chembl_id": "CHEMBL465208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "-1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Salidroside (Rhodioloside)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150181", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150181, "molecule_chembl_id": "CHEMBL1256723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.90", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DOXYCYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150213", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150213, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Fu"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149871", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORAFENIB TOSYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149871, "molecule_chembl_id": "CHEMBL1200485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.04", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sorafenib Tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149882", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149882, "molecule_chembl_id": "CHEMBL4303417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-26576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccnc2OC[C@@H]2CCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154390", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154390, "molecule_chembl_id": "CHEMBL374632", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coumarin 7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147921", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147921, "molecule_chembl_id": "CHEMBL576781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.68", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC0224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152429", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152429, "molecule_chembl_id": "CHEMBL1528425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-298645"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150321", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADH-1", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150321, "molecule_chembl_id": "CHEMBL3818130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "-2.05", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ADH-1 trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147223", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147223, "molecule_chembl_id": "CHEMBL88553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1757"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)c(/N=N/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154079", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154079, "molecule_chembl_id": "CHEMBL436031", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.52", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BNTX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccccc2)C[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148204", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148204, "molecule_chembl_id": "CHEMBL3931570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DC-260126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151754", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151754, "molecule_chembl_id": "CHEMBL243001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YIL-781"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150171", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150171, "molecule_chembl_id": "CHEMBL286120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-77434"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150176", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASARALDEHYDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150176, "molecule_chembl_id": "CHEMBL1164301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Asaraldehyde (Asaronaldehyde)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(OC)cc1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150064", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYROCETYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150064, "molecule_chembl_id": "CHEMBL1451173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.19", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPYROCETYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150073", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZASETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150073, "molecule_chembl_id": "CHEMBL1598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.82", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZASETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149701", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149701, "molecule_chembl_id": "CHEMBL95", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.27", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149974", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-TAXIFOLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149974, "molecule_chembl_id": "CHEMBL66", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.25", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Taxifolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150032", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150032, "molecule_chembl_id": "CHEMBL473136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.52", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-funaltrexamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149296", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAXETAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149296, "molecule_chembl_id": "CHEMBL1721515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "-2.45", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "gadoterate-meglumine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150687", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AROTINOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150687, "molecule_chembl_id": "CHEMBL93298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.55", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Arotinolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960816, "molecule_chembl_id": "CHEMBL780", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.35", "alogp": "-2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gadopentetic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.028", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956047", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956047, "molecule_chembl_id": "CHEMBL1897738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clinofibrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955950", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETILISTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955950, "molecule_chembl_id": "CHEMBL2103825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.59", "alogp": "7.36", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Cetilistat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956605", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-1530", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956605, "molecule_chembl_id": "CHEMBL1980391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.79", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYL SALICYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960126, "molecule_chembl_id": "CHEMBL108545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methyl-salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956488", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956488, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961194", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROCILETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961194, "molecule_chembl_id": "CHEMBL3545308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.56", "alogp": "4.78", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rociletinib (CO-1686; AVL-301)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956307", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956307, "molecule_chembl_id": "CHEMBL575966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.23", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TGR5 Receptor Agonist"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960849", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZILSARTAN KAMEDOXOMIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960849, "molecule_chembl_id": "CHEMBL2103795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "606.63", "alogp": "4.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AZILSARTAN MEDOXOMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.203", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956117", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIPIRACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956117, "molecule_chembl_id": "CHEMBL235668", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.67", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIPIRACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1CCCN1Cc1nc(O)nc(O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956304", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956304, "molecule_chembl_id": "CHEMBL191513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.28", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4,4'-Dimethoxybenzil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961080", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961080, "molecule_chembl_id": "CHEMBL4303530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.36", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNBS5162"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960105", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VARESPLADIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960105, "molecule_chembl_id": "CHEMBL148674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.40", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ly315920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.275", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960887", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960887, "molecule_chembl_id": "CHEMBL1161936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxypyridine-disulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961085", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DONITRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961085, "molecule_chembl_id": "CHEMBL1742428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.49", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "donitriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956119", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956119, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pexidartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956317", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956317, "molecule_chembl_id": "CHEMBL4447328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.50", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Btk inhibitor 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956042", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERIFLUNOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956042, "molecule_chembl_id": "CHEMBL973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Teriflunomide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956542", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956542, "molecule_chembl_id": "CHEMBL51314", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SF1670"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961176", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLERIXAFOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961176, "molecule_chembl_id": "CHEMBL18442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.80", "alogp": "0.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Plerixafor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961504", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VIDOFLUDIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961504, "molecule_chembl_id": "CHEMBL197194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vidofludimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.341", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956064", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956064, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "Rifapentin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956111", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAPHAZOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956111, "molecule_chembl_id": "CHEMBL761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPHAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960956", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VADIMEZAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960956, "molecule_chembl_id": "CHEMBL71263", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DMXAA (Vadimezan)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956624", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956624, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "FENRETINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145583", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLFORSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145583, "molecule_chembl_id": "CHEMBL52606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.51", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COLFORSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960050", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINOCTRAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960050, "molecule_chembl_id": "CHEMBL2104186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINOCTRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960940", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960940, "molecule_chembl_id": "CHEMBL2431072", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "567.65", "alogp": "1.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefcapene pivoxil hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956167", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956167, "molecule_chembl_id": "CHEMBL472212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.51", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF 431396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960800", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960800, "molecule_chembl_id": "CHEMBL1614712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.56", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-AEW541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961408", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961408, "molecule_chembl_id": "CHEMBL3187944", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "132.16", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinnamaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CC=Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149922", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOQUINONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149922, "molecule_chembl_id": "CHEMBL1358790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.80", "alogp": "4.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "benzoquinonium-dibromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149006", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149006, "molecule_chembl_id": "CHEMBL2107566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.82", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "somantadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)CC12CC3CC(CC(C3)C1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154612", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154612, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959112", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959112, "molecule_chembl_id": "CHEMBL3039338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AJMALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1C2CC3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2C5O)N3[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150116", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150116, "molecule_chembl_id": "CHEMBL19236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.68", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154627", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ROLAPITANT", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154627, "molecule_chembl_id": "CHEMBL3707331", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "rolapitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.68", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154538", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154538, "molecule_chembl_id": "CHEMBL4303199", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "casin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153253", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153253, "molecule_chembl_id": "CHEMBL4303550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.28", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TY 52156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=N/c1ccc(Cl)cc1)NNc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154611", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154611, "molecule_chembl_id": "CHEMBL45827", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "532.52", "alogp": "6.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-161570"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151701", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELEVODOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151701, "molecule_chembl_id": "CHEMBL1328898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-Dopa methyl ester hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150168", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW632580X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150168, "molecule_chembl_id": "CHEMBL261849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW2580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153766", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153766, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dapivirine (TMC120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154189", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154189, "molecule_chembl_id": "CHEMBL3414619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC1999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150068", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALBUPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150068, "molecule_chembl_id": "CHEMBL1201132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.91", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalbuphine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152953", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADEFOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152953, "molecule_chembl_id": "CHEMBL484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.19", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Adefovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2CCOCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148448", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYTETRACYCLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148448, "molecule_chembl_id": "CHEMBL1517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.44", "alogp": "-1.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXYTETRACYCLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148370", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIROXIMEL FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148370, "molecule_chembl_id": "CHEMBL3989944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-(2;5-Dioxopyrrolidin-1-Yl)Ethyl Methyl Fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152611", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "A-317491", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152611, "molecule_chembl_id": "CHEMBL596234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.58", "alogp": "6.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-317491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-PICOLINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146627, "molecule_chembl_id": "CHEMBL72628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "picolinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146629", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146629, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vemurafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146877", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1R,2S-MILNACIPRAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146877, "molecule_chembl_id": "CHEMBL252923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MILNACIPRAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151949", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151949, "molecule_chembl_id": "CHEMBL1221601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.85", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGK-733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151584", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151584, "molecule_chembl_id": "CHEMBL1378094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151966", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151966, "molecule_chembl_id": "CHEMBL4303442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "873.09", "alogp": "5.38", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ABAMECTIN (avermectin B1a shown)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](OC3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150999", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150999, "molecule_chembl_id": "CHEMBL771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOSERINE (D)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CONC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146373", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146373, "molecule_chembl_id": "CHEMBL432038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.37", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY341495"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151607", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151607, "molecule_chembl_id": "CHEMBL1231358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Blebbistatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147172", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147172, "molecule_chembl_id": "CHEMBL3355096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.88", "alogp": "4.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ginsenoside C-K"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147173", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147173, "molecule_chembl_id": "CHEMBL553725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.68", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-BFI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2oc(C3=NCCN3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147318", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPTERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147318, "molecule_chembl_id": "CHEMBL376180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147339", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIBOSEROD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147339, "molecule_chembl_id": "CHEMBL356359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Piboserod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152589", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152589, "molecule_chembl_id": "CHEMBL1430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Penicillamine (Cuprimine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148152", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148152, "molecule_chembl_id": "CHEMBL562310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "endo-IWR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147895", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147895, "molecule_chembl_id": "CHEMBL1615281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.32", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146413", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146413, "molecule_chembl_id": "CHEMBL3770936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tubastatin A hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146501", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146501, "molecule_chembl_id": "CHEMBL25195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.28", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-27531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(-c2ccccc2)nnc1S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154560", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154560, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EVACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151137", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PK-11195", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151137, "molecule_chembl_id": "CHEMBL481537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.87", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PK-11195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150848", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLOFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150848, "molecule_chembl_id": "CHEMBL509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECLOFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145943", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145943, "molecule_chembl_id": "CHEMBL3932957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KG-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150862", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150862, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146368", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RU-24969", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146368, "molecule_chembl_id": "CHEMBL18785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 24969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(C3=CCNCC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961513", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961513, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cyproterone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960871", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACAMPROSATE CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960871, "molecule_chembl_id": "CHEMBL2068724", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.49", "alogp": "-0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACAMPROSATE CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956588", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956588, "molecule_chembl_id": "CHEMBL576781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.68", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC0224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956595", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALTOBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956595, "molecule_chembl_id": "CHEMBL182319", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.66", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TALTOBULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956599", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DABIGATRAN ETHYL ESTER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956599, "molecule_chembl_id": "CHEMBL1231568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.58", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dabigatran (ethyl ester)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956175", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLABRIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956175, "molecule_chembl_id": "CHEMBL480477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLABRIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961384", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXISULIND", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961384, "molecule_chembl_id": "CHEMBL488025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "exisulind"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956616", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956616, "molecule_chembl_id": "CHEMBL2141887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.30", "alogp": "5.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956617", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956617, "molecule_chembl_id": "CHEMBL2385597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956409", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRANEBRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956409, "molecule_chembl_id": "CHEMBL4297674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.43", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-986195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961268", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961268, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956592", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956592, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956057", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATAZANAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956057, "molecule_chembl_id": "CHEMBL1163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "704.87", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Atazanavir sulfate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956094", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956094, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Telaprevir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-59.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956108", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956108, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ezetimibe"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956513", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHA-680632", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956513, "molecule_chembl_id": "CHEMBL363160", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.64", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHA-680632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956132", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRODAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956132, "molecule_chembl_id": "CHEMBL298019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRODAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960857", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960857, "molecule_chembl_id": "CHEMBL112715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.48", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956089", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956089, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "QUIFLAPON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956093", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956093, "molecule_chembl_id": "CHEMBL1258950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.46", "alogp": "1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GS-9851"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960919", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960919, "molecule_chembl_id": "CHEMBL284795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.34", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c2c1CCC=C2c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956147", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CTS-1027", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956147, "molecule_chembl_id": "CHEMBL440498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.89", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CTS-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961574", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961574, "molecule_chembl_id": "CHEMBL2325697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956189", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEFAPIXANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956189, "molecule_chembl_id": "CHEMBL3716057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GEFAPIXANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960901", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960901, "molecule_chembl_id": "CHEMBL3914714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.95", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956607", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956607, "molecule_chembl_id": "CHEMBL140000", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962972", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVAMISOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962972, "molecule_chembl_id": "CHEMBL1770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.76", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVAMISOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.389", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957117", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957117, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959873", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959873, "molecule_chembl_id": "CHEMBL4303400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YO-01027 (Dibenzazepine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.371", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959874", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959874, "molecule_chembl_id": "CHEMBL27323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.37", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIBR1532"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.534", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959751", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORINDANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959751, "molecule_chembl_id": "CHEMBL1449249", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.62", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorindanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958220", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958220, "molecule_chembl_id": "CHEMBL4578753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.33", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC HSD 21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N2C(=O)/C(=C\\c3ccc(O)c(Br)c3)SC2=S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959115", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIOGLITAZONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959115, "molecule_chembl_id": "CHEMBL1715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.91", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIOGLITAZONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961924", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961924, "molecule_chembl_id": "CHEMBL2357012", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-anilinopropan-1-ol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961930", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CASPOFUNGIN ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961930, "molecule_chembl_id": "CHEMBL4297142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1213.43", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Caspofungin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.617", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957952", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957952, "molecule_chembl_id": "CHEMBL1397797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "98.10", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Imidazolemethanol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958166", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958166, "molecule_chembl_id": "CHEMBL163876", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-benzyl-4-(4-methoxybenzyl)piperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958716", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958716, "molecule_chembl_id": "CHEMBL1450004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Usniacin (D-Usnic_acid)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958234", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958234, "molecule_chembl_id": "CHEMBL1701224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.97", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD086019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962560", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962560, "molecule_chembl_id": "CHEMBL571858", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.42", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY 208466 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957978", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLUTATHIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957978, "molecule_chembl_id": "CHEMBL1543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "-2.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GLUTATHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962584", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPOPROSTENOL SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962584, "molecule_chembl_id": "CHEMBL962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prostaglandin I2\u00casodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\\CCCC(=O)[O-])C[C@@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962591", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MILACEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962591, "molecule_chembl_id": "CHEMBL75838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "144.22", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "milacemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962596", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962596, "molecule_chembl_id": "CHEMBL1173670", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.30", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "HA-130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1S/C(=C\\c2ccc(OCc3cccc(B(O)O)c3)cc2)C(=O)N1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957996", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957996, "molecule_chembl_id": "CHEMBL3661385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.77", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-345995"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(Cl)cc1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962598", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RO-4987655", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962598, "molecule_chembl_id": "CHEMBL1614766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.29", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Ro-4987655"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959299", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959299, "molecule_chembl_id": "CHEMBL1430530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(C2=NOC3C4CCC(C4)C23)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959206", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959206, "molecule_chembl_id": "CHEMBL4303479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.02", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Encorafenib (LGX818)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.547", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959241", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959241, "molecule_chembl_id": "CHEMBL164770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHCCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)C12CC1/C(=N\\O)c1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963979, "molecule_chembl_id": "CHEMBL406845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.78", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959479", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEMANTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959479, "molecule_chembl_id": "CHEMBL1699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEMANTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959738", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTALARMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959738, "molecule_chembl_id": "CHEMBL296641", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.56", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "antalarmin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963981", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963981, "molecule_chembl_id": "CHEMBL415247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.64", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JDTic (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963864", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFPIRAMIDE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963864, "molecule_chembl_id": "CHEMBL1200672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "634.63", "alogp": "0.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefpiramide (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959489", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959489, "molecule_chembl_id": "CHEMBL1516068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPERASTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@@H](OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964094", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOTHALAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964094, "molecule_chembl_id": "CHEMBL1201300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.91", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Iothalamic_acid-d3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964023", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RELCOVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964023, "molecule_chembl_id": "CHEMBL419667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "620.51", "alogp": "3.30", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "relcovaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963838", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963838, "molecule_chembl_id": "CHEMBL4084106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-04885614"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957960", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957960, "molecule_chembl_id": "CHEMBL591361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.78", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963903", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963903, "molecule_chembl_id": "CHEMBL424", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.12", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALICYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955622", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW842166X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955622, "molecule_chembl_id": "CHEMBL225411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.26", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW-842166X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958132", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958132, "molecule_chembl_id": "CHEMBL451332", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004692"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(CCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958256", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958256, "molecule_chembl_id": "CHEMBL1306484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.25", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-311475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n2c3c(cccc13)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962262", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXETHAZAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962262, "molecule_chembl_id": "CHEMBL127592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.65", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OXETHAZAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960403", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960403, "molecule_chembl_id": "CHEMBL2105088", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964162", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964162, "molecule_chembl_id": "CHEMBL3185326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "94.05", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sodium acrylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964164", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964164, "molecule_chembl_id": "CHEMBL4303673", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.26", "alogp": "0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-hydroxy-beta-methylbutyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.138", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)O.CC(C)(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962272", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALIPODECT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962272, "molecule_chembl_id": "CHEMBL3989972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.43", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Balipodect"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959416", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959416, "molecule_chembl_id": "CHEMBL597477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.71", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EX 527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.892", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957676", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARGYLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957676, "molecule_chembl_id": "CHEMBL673", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PARGYLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958307", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958307, "molecule_chembl_id": "CHEMBL4581497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-229387"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/N=c2\\cc(C)[nH]c3ncnn23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957956", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETHYLAMMONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957956, "molecule_chembl_id": "CHEMBL439723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "59.11", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETHYLAMMONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962772, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Avatrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956014", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956014, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tamibarotene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962843", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SURAMIN HEXASODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962843, "molecule_chembl_id": "CHEMBL413376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1429.19", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "SURAMIN HEXASODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.974", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964341", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964341, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964342", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIGENIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964342, "molecule_chembl_id": "CHEMBL28", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959378", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959378, "molecule_chembl_id": "CHEMBL177828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATROPINE OXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964008", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFEDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964008, "molecule_chembl_id": "CHEMBL193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFEDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964286", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.30", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964286, "molecule_chembl_id": "CHEMBL4303618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "heclin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964178", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POTASSIUM IODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964178, "molecule_chembl_id": "CHEMBL1141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.00", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Potassium iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[I-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964179", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(-)-U-50488 CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964179, "molecule_chembl_id": "CHEMBL593781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.80", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-50488-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959575", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LORNOXICAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959575, "molecule_chembl_id": "CHEMBL1569487", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.83", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORNOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964181", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLPROMAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964181, "molecule_chembl_id": "CHEMBL829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.45", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trimeprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964182", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUPROFEN LYSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964182, "molecule_chembl_id": "CHEMBL1201141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.48", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibuprofen Lysine (NeoProfen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.996", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959687", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959687, "molecule_chembl_id": "CHEMBL1550905", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMZ30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959691", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959691, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU7441(KU-57788)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.683", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960445", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERFLUAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960445, "molecule_chembl_id": "CHEMBL2104877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.06", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Perfluorotripropylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.697", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964305", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.94", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964305, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959699", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959699, "molecule_chembl_id": "CHEMBL43184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959113", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IGMESINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959113, "molecule_chembl_id": "CHEMBL2104866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.95", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "igmesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.906", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958627", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERDOSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958627, "molecule_chembl_id": "CHEMBL1697744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERDOSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSCC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962570", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICATIBANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962570, "molecule_chembl_id": "CHEMBL2028850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1304.55", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Icatibant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958180", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958180, "molecule_chembl_id": "CHEMBL3979441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.50", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-322044"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957975", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2,4-DISULFAMYLTRIFLUOROMETHYLANILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957975, "molecule_chembl_id": "CHEMBL418", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.29", "alogp": "-0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 44625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956751", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TREPROSTINIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956751, "molecule_chembl_id": "CHEMBL1237119", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "treprostinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957677", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFEDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957677, "molecule_chembl_id": "CHEMBL193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFEDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957684", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERINURAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957684, "molecule_chembl_id": "CHEMBL3707347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VERINURAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963836", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYCOPHENOLATE MOFETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963836, "molecule_chembl_id": "CHEMBL1456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLATE MOFETIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959333", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENIBUT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959333, "molecule_chembl_id": "CHEMBL315818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fenigam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959767", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCINYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959767, "molecule_chembl_id": "CHEMBL1484857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.40", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCCINYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959775", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIVELESTAT SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959775, "molecule_chembl_id": "CHEMBL3182314", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.51", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Sivelestat (sodium tetrahydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964382", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE HEMISULFATE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964382, "molecule_chembl_id": "CHEMBL465704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.58", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROFLAVINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963303", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOPIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963303, "molecule_chembl_id": "CHEMBL446918", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.04", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.623", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C)c(Cl)c(=O)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962073", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962073, "molecule_chembl_id": "CHEMBL61723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.33", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCO 400"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958683", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958683, "molecule_chembl_id": "CHEMBL1233448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.69", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Boceprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963196", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963196, "molecule_chembl_id": "CHEMBL1256287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.14", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "moxonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955691", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3,5-DIIODOTHYROPROPIONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955691, "molecule_chembl_id": "CHEMBL2348292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.07", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "diiodothyropropionic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962690", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPIDEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962690, "molecule_chembl_id": "CHEMBL54349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.34", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Alpidem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.727", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962691", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SANGUINARIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962691, "molecule_chembl_id": "CHEMBL490129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANGUINARIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960494", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960494, "molecule_chembl_id": "CHEMBL4303286", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2886721"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.992", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@@H]2CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955726", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955726, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Zanamivir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960755", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960755, "molecule_chembl_id": "CHEMBL515271", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.30", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955732", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955732, "molecule_chembl_id": "CHEMBL462997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "-1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Salicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957314", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957314, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RESERPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962904", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MORANTEL CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962904, "molecule_chembl_id": "CHEMBL1330312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.46", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MORANTEL CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1/C=C/C1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962927", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962927, "molecule_chembl_id": "CHEMBL2146753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.31", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.246", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc2nc(COCc3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958304", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958304, "molecule_chembl_id": "CHEMBL112388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "875.11", "alogp": "5.60", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ivermectin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C1OC2(CCC1C)CC1CC(C/C=C(\\C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)/C=C/C=C3\\COC4C(O)C(C)=CC(C(=O)O1)C34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958326", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958326, "molecule_chembl_id": "CHEMBL4078971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-323026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2cc3oc(=O)c4ccccc4c3cc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962933", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDROERGOTAMINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962933, "molecule_chembl_id": "CHEMBL1200517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "679.80", "alogp": "2.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "dihydroergotamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962623", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NABUMETONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962623, "molecule_chembl_id": "CHEMBL1070", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NABUMETONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(CCC(C)=O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958619", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STEPRONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958619, "molecule_chembl_id": "CHEMBL2107531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Stepronin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.255", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(SC(=O)c1cccs1)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962773", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TODRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962773, "molecule_chembl_id": "CHEMBL1318529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.70", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TODRALAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1nncc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958029", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958029, "molecule_chembl_id": "CHEMBL1703740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.72", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML115 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962494", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962494, "molecule_chembl_id": "CHEMBL375596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-412997"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958114", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958114, "molecule_chembl_id": "CHEMBL3184306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.66", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cholesterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958375", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958375, "molecule_chembl_id": "CHEMBL86962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963080", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THREONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963080, "molecule_chembl_id": "CHEMBL291747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-threonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.188", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962640", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENYLENEIODONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962640, "molecule_chembl_id": "CHEMBL365739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diphenyleneiodonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.766", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)[I+]c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962642", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "S-ROLIPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962642, "molecule_chembl_id": "CHEMBL325795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rolipram-S(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960414", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENTIAZAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960414, "molecule_chembl_id": "CHEMBL589092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fentiazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.811", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958074", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958074, "molecule_chembl_id": "CHEMBL1569489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.30", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-602820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(=O)NN=C1c1ccc(NCCO)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962675", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962675, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Amuvatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5456", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957577", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957577, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Dactolisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962258", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962258, "molecule_chembl_id": "CHEMBL426560", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.67", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-2216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964156", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESLANOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964156, "molecule_chembl_id": "CHEMBL1614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "943.09", "alogp": "0.04", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Deslanoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964159", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964159, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bosutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956935", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYMECROMONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956935, "molecule_chembl_id": "CHEMBL12208", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.17", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "HYMECROMONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "106.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956945", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHALOTHIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956945, "molecule_chembl_id": "CHEMBL617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cephalothin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963994", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIDOFOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963994, "molecule_chembl_id": "CHEMBL152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cidofovir (Vistide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.257", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964259", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.61", "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE ZINC", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964259, "molecule_chembl_id": "CHEMBL3392049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.71", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRITHIONE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2460.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964261", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.41", "bao_label": "assay format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964261, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rosmarinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3860.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964267", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.01", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964267, "molecule_chembl_id": "CHEMBL1188627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-202676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "980.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959723", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959723, "molecule_chembl_id": "CHEMBL3115312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.65", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-42041935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959127", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESMOPRESSIN ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959127, "molecule_chembl_id": "CHEMBL1200556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1129.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Desmopressin (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.694", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960523", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIGOXIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960523, "molecule_chembl_id": "CHEMBL1153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Digoxigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955751", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORBIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955751, "molecule_chembl_id": "CHEMBL295433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Orbifloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955617", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLPERISONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955617, "molecule_chembl_id": "CHEMBL1076211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.37", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tolperisone hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964202", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.80", "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964202, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1580.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964229", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.69", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964229, "molecule_chembl_id": "CHEMBL449298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2050.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957478", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THALIDOMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957478, "molecule_chembl_id": "CHEMBL468", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THALIDOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANTHRAQUINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960411, "molecule_chembl_id": "CHEMBL55659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anthraquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957492", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957492, "molecule_chembl_id": "CHEMBL3600873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-5108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957671", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WAY-100,635", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957671, "molecule_chembl_id": "CHEMBL31354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.57", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-100635"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964018", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964018, "molecule_chembl_id": "CHEMBL393912", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "544.60", "alogp": "1.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "10-DAB (10-Deacetylbaccatin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.971", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964020", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRETOMANID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964020, "molecule_chembl_id": "CHEMBL227875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.26", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PA-824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962911", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENCENICLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962911, "molecule_chembl_id": "CHEMBL3137323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.31", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Encenicline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.993", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962552", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962552, "molecule_chembl_id": "CHEMBL90290", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.25", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MNITMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960429", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHYLTUBOCURARINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960429, "molecule_chembl_id": "CHEMBL2105841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "723.74", "alogp": "7.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Metocurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153492", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153492, "molecule_chembl_id": "CHEMBL273862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.36", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "10-Hydroxycamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148991", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUNIXIN MEGLUMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148991, "molecule_chembl_id": "CHEMBL1733447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.46", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUNIXIN MEGLUMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149528", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149528, "molecule_chembl_id": "CHEMBL457665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "-1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Sulfo-L-cysteine-sodium-salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSS(=O)(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153962", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153962, "molecule_chembl_id": "CHEMBL4203266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.96", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3463"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149459", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149459, "molecule_chembl_id": "CHEMBL3039333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.14", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCONOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149463", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149463, "molecule_chembl_id": "CHEMBL551505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "exo-IWR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153968", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153968, "molecule_chembl_id": "CHEMBL3319237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "590.48", "alogp": "2.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CWHM12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(Br)cc([C@H](CC(=O)O)NC(=O)CNC(=O)c2cc(O)cc(NC3=NCC(O)CN3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149472", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149472, "molecule_chembl_id": "CHEMBL2170241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.17", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Aminobenzoic_acid hydrazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149473", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALCINONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149473, "molecule_chembl_id": "CHEMBL1200845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.97", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153979", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153979, "molecule_chembl_id": "CHEMBL1199540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.69", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Halofuginone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153980", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153980, "molecule_chembl_id": "CHEMBL336546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.65", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SP-100030"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149477, "molecule_chembl_id": "CHEMBL1204779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.40", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dodecyl-sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153981", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALTRINDOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153981, "molecule_chembl_id": "CHEMBL567175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.51", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "naltrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149485", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149485, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154472", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154472, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3920.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149971", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAVOXERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149971, "molecule_chembl_id": "CHEMBL3544964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.87", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Ravoxertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154110", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154110, "molecule_chembl_id": "CHEMBL1221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.76", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SULCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150133", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150133, "molecule_chembl_id": "CHEMBL1459534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.38", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-67"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150136", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150136, "molecule_chembl_id": "CHEMBL1200791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYMETAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149612", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFENDATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149612, "molecule_chembl_id": "CHEMBL105184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Bifendate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152101", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152101, "molecule_chembl_id": "CHEMBL3338865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-3697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147375", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147375, "molecule_chembl_id": "CHEMBL299879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.62", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NTNCB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147611", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-ROLIPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147611, "molecule_chembl_id": "CHEMBL325795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rolipram-S(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147384", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8055", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147384, "molecule_chembl_id": "CHEMBL1801204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8055"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152857", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152857, "molecule_chembl_id": "CHEMBL259388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.59", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "R-59022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148360", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVANAFIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148360, "molecule_chembl_id": "CHEMBL1963681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.96", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AVANAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C/N=c2\\[nH]c(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148361", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148361, "molecule_chembl_id": "CHEMBL2030550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.31", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DG-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(/C=C(\\C#N)c3ccccc3Br)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148449", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMTOLMETIN GUACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148449, "molecule_chembl_id": "CHEMBL1766570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.47", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amtolmetin-guacil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152836", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOTEROL HBR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152836, "molecule_chembl_id": "CHEMBL537445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.27", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENOTEROL HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152838", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152838, "molecule_chembl_id": "CHEMBL1326499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-59230A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148336", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148336, "molecule_chembl_id": "CHEMBL285819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.69", "alogp": "-1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-chloroadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148338", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148338, "molecule_chembl_id": "CHEMBL27441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.35", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AJ76-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146031", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146031, "molecule_chembl_id": "CHEMBL3218581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.54", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A66"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150533, "molecule_chembl_id": "CHEMBL410295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.64", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-S-7003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n2c3ccccc3nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956509", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956509, "molecule_chembl_id": "CHEMBL140220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-64131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955729", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955729, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Palmidrol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960506", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960506, "molecule_chembl_id": "CHEMBL495841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-915275"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960522", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEXENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960522, "molecule_chembl_id": "CHEMBL1898387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEXENEONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.393", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956468", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956468, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LISINOPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149002", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149002, "molecule_chembl_id": "CHEMBL4303726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "834.96", "alogp": "5.60", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "FCE-22250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N=C/N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149547", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AT-9283", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149547, "molecule_chembl_id": "CHEMBL495727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.44", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149325", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149325, "molecule_chembl_id": "CHEMBL3526436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEBIVOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153387", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153387, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BITHIONOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153844", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153844, "molecule_chembl_id": "CHEMBL4303396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.63", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Bafetinib (INNO-406)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCC(N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153946", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153946, "molecule_chembl_id": "CHEMBL1996003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.39", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benfluron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149616", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149616, "molecule_chembl_id": "CHEMBL573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154121", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIZOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154121, "molecule_chembl_id": "CHEMBL601719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Crizotinib (PF-02341066)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154648", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154648, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLUOPERAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.98", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154127", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154127, "molecule_chembl_id": "CHEMBL3286929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.77", "alogp": "8.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Deltarasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150227", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150227, "molecule_chembl_id": "CHEMBL1622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.40", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154661", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154661, "molecule_chembl_id": "CHEMBL3913746", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VPS34-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.08", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154666", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "WIN-552122", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154666, "molecule_chembl_id": "CHEMBL188", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "426.52", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WIN 55,212-2 (Mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154245", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMATINIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154245, "molecule_chembl_id": "CHEMBL3545413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.60", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Flumatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149173", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-METHOXYTRYPTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149173, "molecule_chembl_id": "CHEMBL8165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-METHOXYTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCN)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMIPHEN BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154015, "molecule_chembl_id": "CHEMBL486696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Domiphen Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149559", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISKIREN FUMARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149559, "molecule_chembl_id": "CHEMBL3545059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1219.61", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALISKIREN HEMIFUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149636", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECLOFENAMATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149636, "molecule_chembl_id": "CHEMBL1562610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.15", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MECLOFENAMATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149575", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149575, "molecule_chembl_id": "CHEMBL3401292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.76", "alogp": "5.14", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GDC-0834 (Racemate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@H]3C(=O)N(C)CCN3C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149727", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149727, "molecule_chembl_id": "CHEMBL3818617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.34", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY-598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)CO)[C@H]1CN(/C(=N\\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961446", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MORNIFLUMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961446, "molecule_chembl_id": "CHEMBL2105059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morniflumate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961183", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEOHESPERIDIN DIHYDROCHALCONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961183, "molecule_chembl_id": "CHEMBL1159645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.58", "alogp": "-1.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Neohesperidin dihydrochalcone (Nhdc)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9559", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961071", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVALLORPHAN TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961071, "molecule_chembl_id": "CHEMBL2062276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levallorphan tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957884", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAPROTILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957884, "molecule_chembl_id": "CHEMBL21731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MAPROTILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961722", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMAPUNIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961722, "molecule_chembl_id": "CHEMBL513922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Emapunil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.072", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961725", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961725, "molecule_chembl_id": "CHEMBL4303523", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.00", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961730", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOGESTREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961730, "molecule_chembl_id": "CHEMBL1533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.48", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desogestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961735", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961735, "molecule_chembl_id": "CHEMBL1513232", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.56", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Linoleoyl GABA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961617", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961617, "molecule_chembl_id": "CHEMBL4303324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.25", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Wy-16922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(=O)Nc1cccc(OC)c1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958486", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958486, "molecule_chembl_id": "CHEMBL277120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.30", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-naphthylpiperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961630", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHENODIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961630, "molecule_chembl_id": "CHEMBL240597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chenodeoxycholic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963004", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963004, "molecule_chembl_id": "CHEMBL653", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.47", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIZATIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C\\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955743", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955743, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyproterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962941", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962941, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gilteritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958883", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLPERISONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958883, "molecule_chembl_id": "CHEMBL1395150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.83", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLPERISONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962944", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962944, "molecule_chembl_id": "CHEMBL773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "75.07", "alogp": "-0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960779", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICARITIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960779, "molecule_chembl_id": "CHEMBL498485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Icaritin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963492", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963492, "molecule_chembl_id": "CHEMBL468984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.20", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PTC-209"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960329", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960329, "molecule_chembl_id": "CHEMBL513599", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.30", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-K-8644-(s)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955813", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955813, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vandetanib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIGOXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957855, "molecule_chembl_id": "CHEMBL1751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "780.95", "alogp": "2.22", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "digoxin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957870", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUDARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957870, "molecule_chembl_id": "CHEMBL1568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.24", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUDARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957871", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957871, "molecule_chembl_id": "CHEMBL1765602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.41", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "torin 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962477, "molecule_chembl_id": "CHEMBL359632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.19", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JNJ-10397049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@H](c2ccccc2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957954", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPYRIDYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957954, "molecule_chembl_id": "CHEMBL39879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.19", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPYRIDYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccccn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962981", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ICI-199,441", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962981, "molecule_chembl_id": "CHEMBL38576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.34", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-199441"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956015, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pirfenidone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961526", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961526, "molecule_chembl_id": "CHEMBL150315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.75", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-306416"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.179", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961531", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALFAXALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961531, "molecule_chembl_id": "CHEMBL190279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alfaxalone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.887", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961537", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961537, "molecule_chembl_id": "CHEMBL291536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.32", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-334867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961540", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LONAFARNIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961540, "molecule_chembl_id": "CHEMBL298734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "638.83", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Lonafarnib (SCH66336)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.968", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956583", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TORCETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956583, "molecule_chembl_id": "CHEMBL479527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "600.48", "alogp": "8.20", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TORCETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961137", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFEKALANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961137, "molecule_chembl_id": "CHEMBL360861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.46", "alogp": "0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifekalant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.634", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956366", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956366, "molecule_chembl_id": "CHEMBL1672987", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.53", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-87"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958503", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958503, "molecule_chembl_id": "CHEMBL342375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.46", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XE991"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963010", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963010, "molecule_chembl_id": "CHEMBL1514181", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.24", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-1643"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963114", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963114, "molecule_chembl_id": "CHEMBL2169920", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "577.55", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ505 (ditrifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.828", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958513", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958513, "molecule_chembl_id": "CHEMBL579212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.33", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-297696-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccccn3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963116", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENAZOPYRIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963116, "molecule_chembl_id": "CHEMBL1201022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.71", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENAZOPYRIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963208", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963208, "molecule_chembl_id": "CHEMBL3770459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "605.57", "alogp": "5.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ITI214"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960378", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960378, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mupirocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957153", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957153, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CABOZANTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961693", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MERBARONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961693, "molecule_chembl_id": "CHEMBL1765797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.28", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "merbarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.249", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957160", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957160, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BAICALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962106", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACADESINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962106, "molecule_chembl_id": "CHEMBL1551724", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "-2.82", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AICAR (Acadesine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955769", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955769, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955503", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955503, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nepafenac\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHIONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955772, "molecule_chembl_id": "CHEMBL42336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960550", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVOSENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960550, "molecule_chembl_id": "CHEMBL3989834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.52", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Avosentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962244", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CALCIPOTRIENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962244, "molecule_chembl_id": "CHEMBL1200666", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcipotriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957962", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRAMETHYLAMMONIUM ION", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957962, "molecule_chembl_id": "CHEMBL46486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "74.15", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAMETHYLAMMONIUM ION"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957970", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957970, "molecule_chembl_id": "CHEMBL4571169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.21", "alogp": "-1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MITOGUAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C=NNC(=N)N)=NNC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957296", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957296, "molecule_chembl_id": "CHEMBL3410223", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.78", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CTEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961951", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961951, "molecule_chembl_id": "CHEMBL31965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CI-1033 (Canertinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-67.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961961", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYCANTHONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961961, "molecule_chembl_id": "CHEMBL22077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.49", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hycanthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962721", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-2014", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962721, "molecule_chembl_id": "CHEMBL1078983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ku-0063794"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958043", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METYROSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958043, "molecule_chembl_id": "CHEMBL1200862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYROSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957043", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957043, "molecule_chembl_id": "CHEMBL3110004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "514.53", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TMP269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958177", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958177, "molecule_chembl_id": "CHEMBL95", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.27", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957109", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-05180999", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957109, "molecule_chembl_id": "CHEMBL3092562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-05180999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957371", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VILAZODONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957371, "molecule_chembl_id": "CHEMBL439849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILAZODONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957380", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957380, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961981", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PANCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961981, "molecule_chembl_id": "CHEMBL1200757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "732.68", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Pancuronium dibromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.256", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957383", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBOCICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957383, "molecule_chembl_id": "CHEMBL3545110", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribociclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961983", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACESULFAME POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961983, "molecule_chembl_id": "CHEMBL1351474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.24", "alogp": "-0.72", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ACESULFAME POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957386", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACALABRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957386, "molecule_chembl_id": "CHEMBL3707348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.52", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACALABRUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962367", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARIBAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962367, "molecule_chembl_id": "CHEMBL515408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.24", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Maribavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957769", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957769, "molecule_chembl_id": "CHEMBL3109630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-366"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962377", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962377, "molecule_chembl_id": "CHEMBL31344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.11", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-29951"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957780", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957780, "molecule_chembl_id": "CHEMBL3752151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NI-57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957786", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIOTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957786, "molecule_chembl_id": "CHEMBL857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.32", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "biotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957739", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957739, "molecule_chembl_id": "CHEMBL252124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.81", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-50589"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955975", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IVABRADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955975, "molecule_chembl_id": "CHEMBL471737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ivabradine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956429", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CFI-400945", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956429, "molecule_chembl_id": "CHEMBL3408947", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CFI-400945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961207", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961207, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955727", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBOFLAVIN 5'-PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955727, "molecule_chembl_id": "CHEMBL1201794", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.35", "alogp": "-1.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Riboflavin 5'-phosphate sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961286", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961286, "molecule_chembl_id": "CHEMBL1270331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.11", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CaMKII-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956340", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956340, "molecule_chembl_id": "CHEMBL432038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.37", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY341495"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963495", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MLN-8054", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963495, "molecule_chembl_id": "CHEMBL259084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MLN8054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.474", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960555", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960555, "molecule_chembl_id": "CHEMBL4303453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.60", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WIKI4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957524", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957524, "molecule_chembl_id": "CHEMBL461939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CFTR Inhibitor-172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2\\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957525", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOTAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957525, "molecule_chembl_id": "CHEMBL3039507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.95", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOTAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957528", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOXIGLUMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957528, "molecule_chembl_id": "CHEMBL206025", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dexloxiglumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957183", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957183, "molecule_chembl_id": "CHEMBL143360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955799", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHLORETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955799, "molecule_chembl_id": "CHEMBL45068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phloretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961128", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AP18 5", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961128, "molecule_chembl_id": "CHEMBL593902", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.68", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AP-18"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=C\\c1ccc(Cl)cc1)/C(C)=N/O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960361", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEMEGRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960361, "molecule_chembl_id": "CHEMBL1214192", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bemegride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.266", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955896", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955896, "molecule_chembl_id": "CHEMBL4534167", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Succinylcholine chloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960430", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOCETINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960430, "molecule_chembl_id": "CHEMBL272980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mocetinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960676", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIZOLASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960676, "molecule_chembl_id": "CHEMBL94454", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mizolastine (Mizollen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958905", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLORPRENALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958905, "molecule_chembl_id": "CHEMBL2106149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.17", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clorprenaline HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.811", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccccc1Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958906", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958906, "molecule_chembl_id": "CHEMBL1590048", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCA-4248"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958908", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958908, "molecule_chembl_id": "CHEMBL1519829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.87", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBINOXAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963515", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963515, "molecule_chembl_id": "CHEMBL541505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM TETRADECYL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957367", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLURBIPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957367, "molecule_chembl_id": "CHEMBL563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLURBIPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961548", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLIMIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961548, "molecule_chembl_id": "CHEMBL8030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.21", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tolimidone; MLR 1023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Oc2cnc(O)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960802", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHACRIDINE LACTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960802, "molecule_chembl_id": "CHEMBL582355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHACRIDINE LACTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960224", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLIPIZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960224, "molecule_chembl_id": "CHEMBL1073", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLIPIZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963266", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963266, "molecule_chembl_id": "CHEMBL3752910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.49", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NVP-BHG712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959153", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959153, "molecule_chembl_id": "CHEMBL540034", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.34", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "3-CPMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963765", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963765, "molecule_chembl_id": "CHEMBL3932957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KG-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.415", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960292", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOTHIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960292, "molecule_chembl_id": "CHEMBL344760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "100.15", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOTHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.697", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959819", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959819, "molecule_chembl_id": "CHEMBL1237018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.88", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-2048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NC)c32)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959336", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959336, "molecule_chembl_id": "CHEMBL3929074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.46", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RBC8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964427", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964427, "molecule_chembl_id": "CHEMBL403183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELAFIBRANOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959824, "molecule_chembl_id": "CHEMBL3707395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.50", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Elafibranor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959834", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FORETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959834, "molecule_chembl_id": "CHEMBL1230609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "632.66", "alogp": "5.77", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Foretinib (GSK1363089; XL880)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.066", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145659", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPHANATE METHYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145659, "molecule_chembl_id": "CHEMBL487187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.40", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOPHANATE METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147312", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXADIAZON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147312, "molecule_chembl_id": "CHEMBL1080648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.23", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXADIAZON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYVERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151816, "molecule_chembl_id": "CHEMBL1256940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.10", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(\u00c2\u00b1)-Methoxyverapamil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147316", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDASANUTLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147316, "molecule_chembl_id": "CHEMBL2402737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.49", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "IDASANUTLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147317", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147317, "molecule_chembl_id": "CHEMBL1489765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.29", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-388156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1nnc(NC(=O)Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146602", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEBRANOPADOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146602, "molecule_chembl_id": "CHEMBL2364605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.49", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Cebranopadol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150742", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150742, "molecule_chembl_id": "CHEMBL38508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.50", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW0742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146836", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAZINDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146836, "molecule_chembl_id": "CHEMBL781", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.75", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mazindol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151340", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151340, "molecule_chembl_id": "CHEMBL1370630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.50", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146841", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XIBENOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146841, "molecule_chembl_id": "CHEMBL347795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.37", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "xibenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(OCC(O)CNC(C)(C)C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150872", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METERGOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150872, "molecule_chembl_id": "CHEMBL19215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151575", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151575, "molecule_chembl_id": "CHEMBL607806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.29", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959978", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959978, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BMS-599626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959980", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIACITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959980, "molecule_chembl_id": "CHEMBL272557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.11", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fiacitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960214", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960214, "molecule_chembl_id": "CHEMBL1201130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.61", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.703", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(=O)O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960636", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960636, "molecule_chembl_id": "CHEMBL3356433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LX7101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955827", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955827, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltitrexed\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956581", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956581, "molecule_chembl_id": "CHEMBL4303550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.28", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TY 52156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=N/c1ccc(Cl)cc1)NNc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961551", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXIDOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961551, "molecule_chembl_id": "CHEMBL451197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIDOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1cc(O)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153620", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2584702", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153620, "molecule_chembl_id": "CHEMBL3545076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.42", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY-2584702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149128", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149128, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "eniluracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151286", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151286, "molecule_chembl_id": "CHEMBL2144069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZ-628"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146053", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDROXYPROGESTERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146053, "molecule_chembl_id": "CHEMBL717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Depomedroxyprogesterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152084", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOXELOTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152084, "molecule_chembl_id": "CHEMBL4101807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Voxelotor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153809", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENADIONE SODIUM BISULPHITE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153809, "molecule_chembl_id": "CHEMBL2358118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.24", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "menadione-bisulfite"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152605", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152605, "molecule_chembl_id": "CHEMBL2323231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.60", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IWP L6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccccc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148473", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148473, "molecule_chembl_id": "CHEMBL145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CAFFEIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148477", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148477, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "melatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148392", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148392, "molecule_chembl_id": "CHEMBL192139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.12", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119753"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152986", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152986, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "QUIFLAPON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152812", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152812, "molecule_chembl_id": "CHEMBL215919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.52", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DRF053-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148311", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148311, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPROSTADIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152823", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLOMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152823, "molecule_chembl_id": "CHEMBL1256400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.84", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "XYLOMETAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROHEPTADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152824, "molecule_chembl_id": "CHEMBL516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROHEPTADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955714", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955714, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dimethyl fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960782", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960782, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levcromakalim"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955567", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOGUISTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955567, "molecule_chembl_id": "CHEMBL146980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.41", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moguisteine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960342", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DROTAVERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960342, "molecule_chembl_id": "CHEMBL551978", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "drotaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.312", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960347", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960347, "molecule_chembl_id": "CHEMBL2134202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4708671"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cncnc1N1CCN(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153677", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARFILZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153677, "molecule_chembl_id": "CHEMBL451887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "719.92", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Carfilzomib (PR-171)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149179", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CX516", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149179, "molecule_chembl_id": "CHEMBL136800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ampalex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2nccnc2c1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146816, "molecule_chembl_id": "CHEMBL96074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.78", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzotript"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147239", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-PROXYPHYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147239, "molecule_chembl_id": "CHEMBL37019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.25", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROXYPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146573", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146573, "molecule_chembl_id": "CHEMBL4522869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALDOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151426", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151426, "molecule_chembl_id": "CHEMBL232656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.90", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147253", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147253, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMODIAQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "74.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147258", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPRENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147258, "molecule_chembl_id": "CHEMBL79686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.56", "alogp": "7.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Teprenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147263", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTINOQUINOL SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147263, "molecule_chembl_id": "CHEMBL2107582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.26", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACTINOQUINOL SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)[O-])c2cccnc12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151661", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151661, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STAVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151368", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151368, "molecule_chembl_id": "CHEMBL1416993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "4.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FK-888"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151351", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXORIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151351, "molecule_chembl_id": "CHEMBL292008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.31", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Loxoribine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153869", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153869, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148857", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148857, "molecule_chembl_id": "CHEMBL50112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.29", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-IBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORTIOXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153816, "molecule_chembl_id": "CHEMBL2104993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.46", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VORTIOXETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153502", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153502, "molecule_chembl_id": "CHEMBL284954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 297006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962418", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962418, "molecule_chembl_id": "CHEMBL333985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957734", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957734, "molecule_chembl_id": "CHEMBL2179387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957076", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957076, "molecule_chembl_id": "CHEMBL3122113", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.33", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-0877"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956713", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956713, "molecule_chembl_id": "CHEMBL1086657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.41", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-6892"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1nc(-c2ccc(O)cn2)no1)C(=O)NC1=C(C(=O)O)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961751", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANRENOATE POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961751, "molecule_chembl_id": "CHEMBL1371200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANRENOIC_acid; POTASSIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957800", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALMITIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957800, "molecule_chembl_id": "CHEMBL82293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.43", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Hexadecanoic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962311", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962311, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib (AT13387)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957712", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957712, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962334", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962334, "molecule_chembl_id": "CHEMBL1200648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "609.69", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROCURONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.256", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957828", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957828, "molecule_chembl_id": "CHEMBL415049", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.55", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "barasertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150180", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBETAPENTANE CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150180, "molecule_chembl_id": "CHEMBL1256696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBETAPENTANE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150316", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150316, "molecule_chembl_id": "CHEMBL239767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.14", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB225002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148899", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148899, "molecule_chembl_id": "CHEMBL3609372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.93", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVS-PAK1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154253", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.56", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154253, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27710.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148904", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148904, "molecule_chembl_id": "CHEMBL2204495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK2578215A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149980", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149980, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVONORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149987", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINELORANE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149987, "molecule_chembl_id": "CHEMBL1486918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.28", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-163;502\u00c2\u00b72HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154501", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154501, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150000", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150000, "molecule_chembl_id": "CHEMBL4303312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.80", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riodoxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c(O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154502", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154502, "molecule_chembl_id": "CHEMBL3913746", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VPS34-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26830.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150024", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150024, "molecule_chembl_id": "CHEMBL554563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.22", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torcitabine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154603", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154603, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154615", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PHA-665752", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154615, "molecule_chembl_id": "CHEMBL450786", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "641.62", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PHA-665752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.64", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959664", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959664, "molecule_chembl_id": "CHEMBL1604244", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.36", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hexylcaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.011", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154617", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154617, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib (HM781-36B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154624", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154624, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956910", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CICLOPIROX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956910, "molecule_chembl_id": "CHEMBL1413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciclopirox ethanolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956841", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DORZOLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956841, "molecule_chembl_id": "CHEMBL218490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.45", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dorzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956689", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORHEXIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956689, "molecule_chembl_id": "CHEMBL790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.46", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORHEXIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956434", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956434, "molecule_chembl_id": "CHEMBL273636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.22", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEAQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955539", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYPEROSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955539, "molecule_chembl_id": "CHEMBL251254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "-0.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Hyperin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955956", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955956, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pleconaril\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956418", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956418, "molecule_chembl_id": "CHEMBL465952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.16", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alda-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956283", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956283, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PSORALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956285", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956285, "molecule_chembl_id": "CHEMBL62444", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.62", "alogp": "6.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GRA-Ex-25"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956286", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956286, "molecule_chembl_id": "CHEMBL190228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.43", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV688703"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960668", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960668, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961065", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TORSEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961065, "molecule_chembl_id": "CHEMBL1148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TORSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.987", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956411, "molecule_chembl_id": "CHEMBL1583199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.40", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID 3712249"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-31.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955675", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955675, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyl nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960659", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MORICIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960659, "molecule_chembl_id": "CHEMBL1200334", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.99", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "moracizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956561", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956561, "molecule_chembl_id": "CHEMBL3655950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.29", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACY-738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961016", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961016, "molecule_chembl_id": "CHEMBL1086484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.53", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK9027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Cc1ccccc1)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961033", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961033, "molecule_chembl_id": "CHEMBL1642655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-ASK-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961039", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961039, "molecule_chembl_id": "CHEMBL3188434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimemorfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961045", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961045, "molecule_chembl_id": "CHEMBL1213137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOMIPHENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956277", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956277, "molecule_chembl_id": "CHEMBL4303781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "841.39", "alogp": "5.24", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "dBET6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961053", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DALBAVANCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961053, "molecule_chembl_id": "CHEMBL3301669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1816.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Dalbavancin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956278", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956278, "molecule_chembl_id": "CHEMBL586830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "235.31", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "F16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956282", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956282, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB-5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-35.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961083", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FR-122047", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961083, "molecule_chembl_id": "CHEMBL275809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.54", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR-122047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961595", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETOPHENAZINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961595, "molecule_chembl_id": "CHEMBL2360079", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "643.72", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOPHENAZINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.699", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961608", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOLE-3-BUTYRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961608, "molecule_chembl_id": "CHEMBL582878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "203.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Indolebutyric_acid (IBA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.767", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961609", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961609, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Crisaborole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956306", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956306, "molecule_chembl_id": "CHEMBL2005186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.52", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KD025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-34.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964168", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964168, "molecule_chembl_id": "CHEMBL3191466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPA-124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1coc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959734", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYL AMINOLEVULINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959734, "molecule_chembl_id": "CHEMBL1201093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.62", "alogp": "-0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyl Aminolevulinate_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCC(=O)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959447", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959447, "molecule_chembl_id": "CHEMBL3303800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "663.41", "alogp": "6.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Clindamycin palmitate HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.119", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956526", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALADEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956526, "molecule_chembl_id": "CHEMBL2142592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALADEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961015, "molecule_chembl_id": "CHEMBL4303203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.07", "alogp": "1.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Edoxaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2nc(C(=O)N[C@H]3C[C@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150898", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENAC SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150898, "molecule_chembl_id": "CHEMBL1034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.14", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOFENAC SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146509", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORBITAN MONOSTEARATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146509, "molecule_chembl_id": "CHEMBL3186117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.63", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sorbitan-monostearate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961427", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIFAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961427, "molecule_chembl_id": "CHEMBL437765", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "697.78", "alogp": "4.75", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifamycin SV Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957772, "molecule_chembl_id": "CHEMBL4587981", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS6180"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CSc2ccccc2N1Cc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962381", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962381, "molecule_chembl_id": "CHEMBL2047521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.64", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-069673"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957791", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUVOXAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957791, "molecule_chembl_id": "CHEMBL814", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluvoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963309", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMIFAMPRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963309, "molecule_chembl_id": "CHEMBL354077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyridine-3;4-diamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958893", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958893, "molecule_chembl_id": "CHEMBL1314409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.75", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SELEGILINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)C(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963497", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVESPIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963497, "molecule_chembl_id": "CHEMBL383824", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "616.76", "alogp": "1.91", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "17-DMAG HCl (Alvespimycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958363", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958363, "molecule_chembl_id": "CHEMBL1231909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Cyclohexyl-N'-(Propyl)Phenyl Urea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCc1ccccc1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958902", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958902, "molecule_chembl_id": "CHEMBL4303609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Uridine-5'-triphosphate\u00e13Na"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957718", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957718, "molecule_chembl_id": "CHEMBL305881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRE-084"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962322", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMODIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962322, "molecule_chembl_id": "CHEMBL289277", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emodin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957797", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCH-23390", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957797, "molecule_chembl_id": "CHEMBL62", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.79", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-23390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957850", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGP-71683A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957850, "molecule_chembl_id": "CHEMBL17645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-71683A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960571", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENDAZAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960571, "molecule_chembl_id": "CHEMBL1089221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bendazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1nn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960194", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960194, "molecule_chembl_id": "CHEMBL2137199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "527.48", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-2211"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962139", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962139, "molecule_chembl_id": "CHEMBL235658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CMPD-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963792", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APALUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963792, "molecule_chembl_id": "CHEMBL3183409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARN-509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959236", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPOMEDIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959236, "molecule_chembl_id": "CHEMBL3707255", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.25", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "epomediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC2(C)C(O)CC1CC2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958718", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958718, "molecule_chembl_id": "CHEMBL1703636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958719", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CISAPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958719, "molecule_chembl_id": "CHEMBL1729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.95", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cisapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960298", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960298, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.112", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960578", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960578, "molecule_chembl_id": "CHEMBL282748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.65", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GGTI298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964280", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.08", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964280, "molecule_chembl_id": "CHEMBL518800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CR8-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "840.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955597", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955597, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960453", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960453, "molecule_chembl_id": "CHEMBL1337170", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.20", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Stattic"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151606", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COCARBOXYLASE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151606, "molecule_chembl_id": "CHEMBL2104121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.77", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiamine pyrophosphate chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146909", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBUTINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146909, "molecule_chembl_id": "CHEMBL1474889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clobutinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961455", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIRIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961455, "molecule_chembl_id": "CHEMBL1411693", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "epirizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.202", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)nc(-n2nc(C)cc2OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961463", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961463, "molecule_chembl_id": "CHEMBL117904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.42", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-WAG-994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958192", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958192, "molecule_chembl_id": "CHEMBL1421720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.37", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-383949"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccs1)Nc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963083", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963083, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI4KIIIbeta-IN-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961629", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETHADIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961629, "molecule_chembl_id": "CHEMBL1099", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "129.11", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHADIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963097", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963097, "molecule_chembl_id": "CHEMBL4303536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "-0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Scopine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961639", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961639, "molecule_chembl_id": "CHEMBL1557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.64", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961652", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Y-27632", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961652, "molecule_chembl_id": "CHEMBL559147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.34", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DALCETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960533, "molecule_chembl_id": "CHEMBL313006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.61", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Dalcetrapib\u00a3\u00acJTT-705\u00a3\u00a9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961155", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANFACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961155, "molecule_chembl_id": "CHEMBL1200494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.56", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANFACINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.551", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961437", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961437, "molecule_chembl_id": "CHEMBL97424", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.31", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-128907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCO[C@H]2c3cc(O)ccc3OC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959757", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-901", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959757, "molecule_chembl_id": "CHEMBL3544932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.66", "alogp": "4.62", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-217.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961587", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961587, "molecule_chembl_id": "CHEMBL1476996", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27152"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3278", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(OCc1ccccc1)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150837", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMAGEDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150837, "molecule_chembl_id": "CHEMBL225304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "74.09", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Aminoguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151009", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151009, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxipurinol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146392", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146392, "molecule_chembl_id": "CHEMBL344314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.31", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-9 DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNS(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151026", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151026, "molecule_chembl_id": "CHEMBL3218011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.38", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RKI-1447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961346", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961346, "molecule_chembl_id": "CHEMBL4303645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NAB-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961122", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961122, "molecule_chembl_id": "CHEMBL2106589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.80", "alogp": "5.62", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Enocitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956481", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GABAPENTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956481, "molecule_chembl_id": "CHEMBL940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GABAPENTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961175", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961175, "molecule_chembl_id": "CHEMBL323612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-471474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960794", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESFESOTERODINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960794, "molecule_chembl_id": "CHEMBL3348932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.50", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-hydroxymethyl tolterodine (PNU 200577)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961640", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEMCADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961640, "molecule_chembl_id": "CHEMBL2105082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.39", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gemcadiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.474", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)CCCCCCC(C)(C)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958512", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4'-METHOXYFLAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958512, "molecule_chembl_id": "CHEMBL16312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4'-METHOXYFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961648", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961648, "molecule_chembl_id": "CHEMBL363211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.40", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962102", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962102, "molecule_chembl_id": "CHEMBL3991932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.64", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pexmetinib (ARRY-614)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964474", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964474, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levofloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959868", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "7-NITROINDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959868, "molecule_chembl_id": "CHEMBL247378", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.14", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-nitroindazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2cn[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERTRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962855, "molecule_chembl_id": "CHEMBL1709", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.70", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SERTRALINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.135", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963626", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963626, "molecule_chembl_id": "CHEMBL134074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-504393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959035", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRACTOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959035, "molecule_chembl_id": "CHEMBL6995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "practolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958262", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958262, "molecule_chembl_id": "CHEMBL1328505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.49", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-1067700"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958651", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958651, "molecule_chembl_id": "CHEMBL1319403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "kakonein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959039", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORTETRACYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959039, "molecule_chembl_id": "CHEMBL2146063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.35", "alogp": "0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHLORTETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963654", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-(N-ETHYL-N-ISOPROPYL)AMILORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963654, "molecule_chembl_id": "CHEMBL517986", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.77", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EIPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.608", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1nc(N)c(C(=O)NC(=N)N)nc1Cl)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963655", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHARBITAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963655, "molecule_chembl_id": "CHEMBL450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metharbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)NC(=O)N(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960626", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CASTANOSPERMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960626, "molecule_chembl_id": "CHEMBL311226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "-2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "castanospermine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959097", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959097, "molecule_chembl_id": "CHEMBL2135651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin (Procoxacin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.557", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)O)C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147772, "molecule_chembl_id": "CHEMBL4298329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "836.39", "alogp": "-2.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "P1;P4-DI(adenosine-5')tetraphosphate ammonium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147777", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147777, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUDARABINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147946", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CASPOFUNGIN ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147946, "molecule_chembl_id": "CHEMBL4297142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1213.43", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Caspofungin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963250", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INTEPIRDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963250, "molecule_chembl_id": "CHEMBL1083390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB-742457"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959957", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959957, "molecule_chembl_id": "CHEMBL37708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.57", "alogp": "6.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LE-135"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2cc3c(cc2N=C(c2ccc(C(=O)O)cc2)c2ccccc21)C(C)(C)CCC3(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146590", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146590, "molecule_chembl_id": "CHEMBL3672841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.82", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ011989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959161", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINDAMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959161, "molecule_chembl_id": "CHEMBL1200588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLINDAMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963922", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963922, "molecule_chembl_id": "CHEMBL367788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.14", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Didox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148398", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-37822681", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148398, "molecule_chembl_id": "CHEMBL3234237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.34", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-37822681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152942", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152942, "molecule_chembl_id": "CHEMBL4068067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.25", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1c[nH]c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152304", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152304, "molecule_chembl_id": "CHEMBL1231178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.18", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bis(4-nitrophenyl) hydrogen phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152305", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORLATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152305, "molecule_chembl_id": "CHEMBL3286830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PF-06463922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152324", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152324, "molecule_chembl_id": "CHEMBL24909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-[1-(4-piperonyl)piperazinyl]benzothiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147832", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147832, "molecule_chembl_id": "CHEMBL455185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.26", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-55845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148521", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148521, "molecule_chembl_id": "CHEMBL259067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID-7969543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153324", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153324, "molecule_chembl_id": "CHEMBL4065858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.06", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(R)-GNE-140"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152342", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALONOSETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152342, "molecule_chembl_id": "CHEMBL1189679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "palonosetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148413", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPRANAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148413, "molecule_chembl_id": "CHEMBL222559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.68", "alogp": "7.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tipranavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153434", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153434, "molecule_chembl_id": "CHEMBL2204995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "541.70", "alogp": "4.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK343"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152328", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152328, "molecule_chembl_id": "CHEMBL3094448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.33", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mirk-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc2cc(C(=O)Nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147827", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCH-900776", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147827, "molecule_chembl_id": "CHEMBL2386889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.26", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-8776 (SCH 900776)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152332", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152332, "molecule_chembl_id": "CHEMBL4566921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.44", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "B-TPMF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C/Nc1nc2nccc(C(C)Oc3ccc(C(C)(C)C)cc3)n2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147828", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147828, "molecule_chembl_id": "CHEMBL1161603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.92", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SM-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149867", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOPHENPROPIT HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149867, "molecule_chembl_id": "CHEMBL1237146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "576.14", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iodophenpropit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.N=C(NCCc1ccc(I)cc1)SCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149589", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUVELISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149589, "molecule_chembl_id": "CHEMBL3039502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Duvelisib (IPI-145; INK1197)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149170", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECURININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149170, "molecule_chembl_id": "CHEMBL303062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SECURININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149741", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149741, "molecule_chembl_id": "CHEMBL1600943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.76", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154020", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154020, "molecule_chembl_id": "CHEMBL304858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.38", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ro 48-8071"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149519", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149519, "molecule_chembl_id": "CHEMBL1230004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149521", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORNOXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149521, "molecule_chembl_id": "CHEMBL1569487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.83", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LORNOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154035", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154035, "molecule_chembl_id": "CHEMBL245839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.83", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rhodamine-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154043", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154043, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clomifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154049", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESEVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154049, "molecule_chembl_id": "CHEMBL3544983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.39", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Tesevatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154347", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.71", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154347, "molecule_chembl_id": "CHEMBL3967196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19650.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154431", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154431, "molecule_chembl_id": "CHEMBL4082745", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "7.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-3903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154457", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154457, "molecule_chembl_id": "CHEMBL3781415", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2110.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149260", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149260, "molecule_chembl_id": "CHEMBL1609104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153560", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153560, "molecule_chembl_id": "CHEMBL306380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149555", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIRITAXESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149555, "molecule_chembl_id": "CHEMBL3828074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "3.43", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "GLPG1690"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149282", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NATEGLINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149282, "molecule_chembl_id": "CHEMBL783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NATEGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149670", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXTROMETHORPHAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149670, "molecule_chembl_id": "CHEMBL1201004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.32", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXTROMETHORPHAN HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154173", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154173, "molecule_chembl_id": "CHEMBL1523019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.35", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Madrasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(Nc3nc(C)c(C)c(O)n3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154235", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.94", "bao_label": "organism-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154235, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1160.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964063", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GESTRINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964063, "molecule_chembl_id": "CHEMBL1868702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gestrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151379", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151379, "molecule_chembl_id": "CHEMBL1692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.88", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146251", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDOCROMIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146251, "molecule_chembl_id": "CHEMBL746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.35", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nedocromil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959776", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959776, "molecule_chembl_id": "CHEMBL1081188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959854", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENOXINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959854, "molecule_chembl_id": "CHEMBL1200654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.88", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENOXINATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.372", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959862", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFTIZOXIME SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959862, "molecule_chembl_id": "CHEMBL1201019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.39", "alogp": "-0.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ceftizoxime sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150450", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150450, "molecule_chembl_id": "CHEMBL3183703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MCC950"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146163", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALIPODECT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146163, "molecule_chembl_id": "CHEMBL3989972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.43", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Balipodect"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150744", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLFENAMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150744, "molecule_chembl_id": "CHEMBL121626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.71", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150745", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150745, "molecule_chembl_id": "CHEMBL1411769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.72", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Chlorophenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150665", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150665, "molecule_chembl_id": "CHEMBL1208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.22", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CINOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146167", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146167, "molecule_chembl_id": "CHEMBL4087968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chidamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956902", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENDOMORPHIN 2", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956902, "molecule_chembl_id": "CHEMBL333357", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "571.68", "alogp": "1.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ENDOMORPHIN 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956915", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956915, "molecule_chembl_id": "CHEMBL4526902", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "AZ 3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960187", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960187, "molecule_chembl_id": "CHEMBL3277499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.89", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzyldimethyloctylammonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960561", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALSPODAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960561, "molecule_chembl_id": "CHEMBL1086218", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1214.65", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Valspodar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147953", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICARITIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147953, "molecule_chembl_id": "CHEMBL498485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Icaritin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147962", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147962, "molecule_chembl_id": "CHEMBL3753077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964454", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARACEMIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964454, "molecule_chembl_id": "CHEMBL9116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "-0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caracemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CNC(=O)ON(C(C)=O)C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959853", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959853, "molecule_chembl_id": "CHEMBL273019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.27", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BERGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959985", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXRAZOXANE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959985, "molecule_chembl_id": "CHEMBL1200778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.73", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexrazoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151096", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151096, "molecule_chembl_id": "CHEMBL1504776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.87", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-2011756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148701", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148701, "molecule_chembl_id": "CHEMBL3273984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "17-Acetoxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153282", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153282, "molecule_chembl_id": "CHEMBL1552895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.94", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963567", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963567, "molecule_chembl_id": "CHEMBL583194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.60", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959044", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959044, "molecule_chembl_id": "CHEMBL9871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.21", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STK441461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963522", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIOCIGUAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963522, "molecule_chembl_id": "CHEMBL2107834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riociguat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958779", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958779, "molecule_chembl_id": "CHEMBL1319514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trolox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.604", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963533", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963533, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "RAPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148788", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148788, "molecule_chembl_id": "CHEMBL83616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.92", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TANOMASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153294", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STRYCHNINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153294, "molecule_chembl_id": "CHEMBL2103753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STRYCHNINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148690", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISTRADEFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148690, "molecule_chembl_id": "CHEMBL431770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Istradefylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149017", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TINIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149017, "molecule_chembl_id": "CHEMBL1220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TINIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963376", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IT-139", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963376, "molecule_chembl_id": "CHEMBL4297410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.15", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "image_file": "metalContaining.svg", "compound_key": "NKP-1339"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.575", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150335", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150335, "molecule_chembl_id": "CHEMBL1230640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.17", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150336", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERISETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150336, "molecule_chembl_id": "CHEMBL56900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.39", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lerisetron\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963238", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963238, "molecule_chembl_id": "CHEMBL250428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.26", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962965", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINCHOPHEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962965, "molecule_chembl_id": "CHEMBL348000", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHOPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccccc2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153363", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153363, "molecule_chembl_id": "CHEMBL1874002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "702.90", "alogp": "4.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sulbutiamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(\\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151780", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTIBUFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151780, "molecule_chembl_id": "CHEMBL454450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.31", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "butibufen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)O)c1ccc(CC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958604", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELTANOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958604, "molecule_chembl_id": "CHEMBL210952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "allopregnanolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150339", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPRAZINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150339, "molecule_chembl_id": "CHEMBL1885437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eprazinone 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150046", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-06840003", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150046, "molecule_chembl_id": "CHEMBL4086143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.21", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-06840003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150361", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIMONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150361, "molecule_chembl_id": "CHEMBL517449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.52", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Limonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150362", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150362, "molecule_chembl_id": "CHEMBL2074689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.00", "alogp": "5.21", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LY335979 (Zosuquidar trihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150365", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150365, "molecule_chembl_id": "CHEMBL3929074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.46", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RBC8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148692", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148692, "molecule_chembl_id": "CHEMBL1715737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLATROPINE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153592", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153592, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cabozantinib S-malate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153362", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153362, "molecule_chembl_id": "CHEMBL2134202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4708671"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cncnc1N1CCN(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149100", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBHYDROLIN NAPHTHALENESULFONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149100, "molecule_chembl_id": "CHEMBL1394472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.69", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mebhydrolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959076", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959076, "molecule_chembl_id": "CHEMBL1095008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "785.03", "alogp": "2.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Ginsenoside Rg3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.979", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152498", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-40411813", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152498, "molecule_chembl_id": "CHEMBL3337527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.89", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-40411813"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959091", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959091, "molecule_chembl_id": "CHEMBL1200950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.36", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIDINIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957907", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957907, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149955", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149955, "molecule_chembl_id": "CHEMBL98869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.84", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UAMC00039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149873", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEMOCAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149873, "molecule_chembl_id": "CHEMBL2104499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.08", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Temocapril HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149592", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149592, "molecule_chembl_id": "CHEMBL3903744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.50", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149277", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOMIDATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149277, "molecule_chembl_id": "CHEMBL681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.29", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETOMIDATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149073", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149073, "molecule_chembl_id": "CHEMBL24850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC30930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958953", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958953, "molecule_chembl_id": "CHEMBL178240", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZIDOVUDINE [AZT]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9354", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963145", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963145, "molecule_chembl_id": "CHEMBL322970", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.73", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-415286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.514", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148840", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINFLUNINE DITARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148840, "molecule_chembl_id": "CHEMBL2105629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1117.12", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Vinflunine Ditartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963194", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963194, "molecule_chembl_id": "CHEMBL4303399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7;8;9;10-tetrahydroazepino[2;1-b]quinazolin-12(6H)-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2NC2=CCCCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148858", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148858, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "4; BEZ235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963297", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GABAZINE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963297, "molecule_chembl_id": "CHEMBL303580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.23", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gabazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958815", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958815, "molecule_chembl_id": "CHEMBL3039094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRASTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC(=O)[C@@]4(C)CCC32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYROSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958816, "molecule_chembl_id": "CHEMBL925", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DL-Tyrosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958317", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958317, "molecule_chembl_id": "CHEMBL449298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962921", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962921, "molecule_chembl_id": "CHEMBL336546", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.65", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SP-100030"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.375", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963216", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963216, "molecule_chembl_id": "CHEMBL826", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.32", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.669", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958615", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXEDRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958615, "molecule_chembl_id": "CHEMBL33720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXEDRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963218", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963218, "molecule_chembl_id": "CHEMBL1551597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.65", "alogp": "6.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-55-0396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958929", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958929, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Mozavaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6905", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963447", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963447, "molecule_chembl_id": "CHEMBL4303476", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.66", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Doxercalciferol (Hectorol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.791", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C/C=C2\\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958223", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958223, "molecule_chembl_id": "CHEMBL1173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.98", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Iodouracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(I)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958802", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958802, "molecule_chembl_id": "CHEMBL4303548", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.50", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANA-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963015, "molecule_chembl_id": "CHEMBL66998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.28", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NSC5844"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.943", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(NCCNc3ccnc4cc(Cl)ccc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149864", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APALUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149864, "molecule_chembl_id": "CHEMBL3183409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARN-509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148157", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148157, "molecule_chembl_id": "CHEMBL1555989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.56", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acetyl-farnesyl-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962845", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962845, "molecule_chembl_id": "CHEMBL1982660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.31", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-1070722"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153199", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153199, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Amuvatinib (MP-470)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149168", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149168, "molecule_chembl_id": "CHEMBL3914714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.95", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963021", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMIFOSTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963021, "molecule_chembl_id": "CHEMBL1006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.23", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMIFOSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCSP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958425", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958425, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-Benzylguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963501", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963501, "molecule_chembl_id": "CHEMBL4303707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.38", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CW-008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963630", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963630, "molecule_chembl_id": "CHEMBL3251047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASS105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836455", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.175604456,0.149021998)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836455, "molecule_chembl_id": "CHEMBL850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sparfloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1623", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836458", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.191672809,0.065685392)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOGLIBOSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836458, "molecule_chembl_id": "CHEMBL476960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "-4.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Voglibose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836460", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836460, "molecule_chembl_id": "CHEMBL4303188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "anlotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831658", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEGACESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831658, "molecule_chembl_id": "CHEMBL463981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.74", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BEGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831662", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831662, "molecule_chembl_id": "CHEMBL452887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.19", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-EBIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)[nH]c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831663, "molecule_chembl_id": "CHEMBL499968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827647", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPLOSALSALATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827647, "molecule_chembl_id": "CHEMBL350343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acetylsalicylsalicylic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832388", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832388, "molecule_chembl_id": "CHEMBL1444844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.56", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEBEVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835995", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELBIVUDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835995, "molecule_chembl_id": "CHEMBL374731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Telbivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09197", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827599", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827599, "molecule_chembl_id": "CHEMBL4303422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.24", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethambutol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01747", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)NCCN[C@H](CC)CO.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838995", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838995, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "248.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827179", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.10", "bao_label": "organism-based format", "molecule_pref_name": "BERBAMINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827179, "molecule_chembl_id": "CHEMBL504323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.74", "alogp": "6.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Berbamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832730", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECARBINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832730, "molecule_chembl_id": "CHEMBL1881106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECARBINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(C)n(C)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838669", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838669, "molecule_chembl_id": "CHEMBL254578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2089.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831066", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXYQUINOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831066, "molecule_chembl_id": "CHEMBL223448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Br)cc(Br)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831067", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEDAQUILINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831067, "molecule_chembl_id": "CHEMBL376488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.52", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BEDAQUILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835940", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOCITABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835940, "molecule_chembl_id": "CHEMBL2106589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.80", "alogp": "5.62", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "enocitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835941", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835941, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "enoxolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1505", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831242", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831242, "molecule_chembl_id": "CHEMBL250699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-803467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832386", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832386, "molecule_chembl_id": "CHEMBL1443376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.48", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFADOTRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827683", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827683, "molecule_chembl_id": "CHEMBL1200643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1488.81", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Gentamicine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01806", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827702", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARGYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827702, "molecule_chembl_id": "CHEMBL1200425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.69", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pargyline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1628", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832393", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORINDANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832393, "molecule_chembl_id": "CHEMBL1449249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.62", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORINDANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832395", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832395, "molecule_chembl_id": "CHEMBL1450144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.50", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JX-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835945", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPINASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835945, "molecule_chembl_id": "CHEMBL1106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "epinastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCC2c3ccccc3Cc3ccccc3N12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831985", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831985, "molecule_chembl_id": "CHEMBL1200692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.60", "alogp": "4.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "OLMESARTAN MEDOXOMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827284", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DIHYDROGAMBOGIC ACID", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827284, "molecule_chembl_id": "CHEMBL1526240", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "630.78", "alogp": "7.03", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Dihydrogambogic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C/C=C(/C)C(=O)O)C4O)C3=O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827289", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GILTERITINIB", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827289, "molecule_chembl_id": "CHEMBL3301622", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "552.72", "alogp": "2.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Gilteritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838943", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2a adrenergic receptor", "pchembl_value": "5.08", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303095", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1867", "activity_id": 18838943, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8317.64", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.93", "sei": "17.36", "bei": "17.99", "le": "0.33"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839008", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839008, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Brivurdin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827451", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827451, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.71", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831891", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831891, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832159", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OROTIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832159, "molecule_chembl_id": "CHEMBL1235017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OROTIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(=O)[nH]c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839021", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839021, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7345.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832077", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832077, "molecule_chembl_id": "CHEMBL1206440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832203", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832203, "molecule_chembl_id": "CHEMBL1256415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-METHOXYTACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3c(c(N)c2c1)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831678", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831678, "molecule_chembl_id": "CHEMBL483158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.93", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "MLN8237 (ALISERTIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827501", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLORASONE DIACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827501, "molecule_chembl_id": "CHEMBL1200545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diflorasone Diacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03683", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832216", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEDIZOLID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832216, "molecule_chembl_id": "CHEMBL1257051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.34", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TR-700"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827629", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINAPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827629, "molecule_chembl_id": "CHEMBL1364551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Minaprine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2144", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831685", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831685, "molecule_chembl_id": "CHEMBL471233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.50", "alogp": "1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR125487 SULFAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832211", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIALAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832211, "molecule_chembl_id": "CHEMBL1256841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838908", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARITAL INHIBITION VIRAL INHIBITION GOES DOWN TO 50%", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.81", "bao_label": "organism-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838908, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "154.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835868", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIDANIMOD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835868, "molecule_chembl_id": "CHEMBL1569545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cridanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1615", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2ccccc2c(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831002", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831002, "molecule_chembl_id": "CHEMBL214529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.44", "alogp": "5.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS-587101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C(=O)O)cs1)C[C@H]2c1ccc(C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835874", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835874, "molecule_chembl_id": "CHEMBL648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1379", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832438", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832438, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIDOTIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827736", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827736, "molecule_chembl_id": "CHEMBL4", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1602", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838951", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303780", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838951, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "500.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity index for SigmaR1/R2 on-target Kd values vs. hERG ion channel", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838916", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838916, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.131", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827265", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SALINOMYCIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827265, "molecule_chembl_id": "CHEMBL1208572", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836445", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTUGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836445, "molecule_chembl_id": "CHEMBL1770248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.89", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ertugliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1785", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836448", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836448, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04666", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831577", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOGLIBOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831577, "molecule_chembl_id": "CHEMBL476960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "-4.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Voglibose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827500", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827500, "molecule_chembl_id": "CHEMBL4303142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tolvaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08991", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832329", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832329, "molecule_chembl_id": "CHEMBL1394135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.37", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-3M3FBS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827390", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827390, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832398", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E309", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832398, "molecule_chembl_id": "CHEMBL1451395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.66", "alogp": "8.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D-DELTA-TOCOPHEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827935", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827935, "molecule_chembl_id": "CHEMBL1201103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.72", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methoxamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01818", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)C(C)N)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832640", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARSALAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832640, "molecule_chembl_id": "CHEMBL1720051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.13", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARSALAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828017", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLOPURINOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828017, "molecule_chembl_id": "CHEMBL1467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Allopurinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1167", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ncnc2[nH][nH]cc1-2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828104", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFIBRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828104, "molecule_chembl_id": "CHEMBL557555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.16", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciprofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8498", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832310", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832310, "molecule_chembl_id": "CHEMBL1367006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVOMEQUITAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831973", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831973, "molecule_chembl_id": "CHEMBL1200542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESOXYCORTICOSTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827259", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PENFLURIDOL", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827259, "molecule_chembl_id": "CHEMBL47050", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "523.97", "alogp": "7.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "P3371, D02630"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8770.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832816, "molecule_chembl_id": "CHEMBL2017214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.56", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHK-IN-1 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831805", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831805, "molecule_chembl_id": "CHEMBL595583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.62", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PHT-427"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827526", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUXIBUZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827526, "molecule_chembl_id": "CHEMBL1414320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.48", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Suxibuzone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831248", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROSPIRENONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831248, "molecule_chembl_id": "CHEMBL1509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170464870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835946", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.072173317,0.070623009)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRUBICIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835946, "molecule_chembl_id": "CHEMBL417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.53", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Epirubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0714", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827687", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOSUXIMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827687, "molecule_chembl_id": "CHEMBL696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "141.17", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethosuximide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832510", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANAXOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832510, "molecule_chembl_id": "CHEMBL1568698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.53", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GANAXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827806", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827806, "molecule_chembl_id": "CHEMBL1696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.85", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desipramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827720", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827720, "molecule_chembl_id": "CHEMBL37161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenbendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01687", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832427", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832427, "molecule_chembl_id": "CHEMBL1479316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.16", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-3852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Nc1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832429", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832429, "molecule_chembl_id": "CHEMBL1483237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TREMORINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(#CCN1CCCC1)CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832612", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFN-1252", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832612, "molecule_chembl_id": "CHEMBL1652621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFN-1252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827733", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827733, "molecule_chembl_id": "CHEMBL1731448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.27", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Scopolamin-N-oxide hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827675", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827675, "molecule_chembl_id": "CHEMBL1200596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.05", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828080", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNICARBATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828080, "molecule_chembl_id": "CHEMBL1200386", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.58", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prednicarbate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833936", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833936, "molecule_chembl_id": "CHEMBL3039358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.45", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANDROGRAPHOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CCC2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827873", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827873, "molecule_chembl_id": "CHEMBL1200701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dicloxacillin sodium salt hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830605", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRSOGLADINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830605, "molecule_chembl_id": "CHEMBL1712923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.17", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "IRSOGLADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833855", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833855, "molecule_chembl_id": "CHEMBL192359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.83", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-7954-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829161", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829161, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nevirapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828986", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.66", "bao_label": "organism-based format", "molecule_pref_name": "DOLUTEGRAVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828986, "molecule_chembl_id": "CHEMBL1229211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dolutegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22040.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835387", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835387, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nevirapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827657", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827657, "molecule_chembl_id": "CHEMBL4303313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.90", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naltrexone hydrochloride dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829929", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMTRICITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829929, "molecule_chembl_id": "CHEMBL885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.25", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EMTRICITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834489", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834489, "molecule_chembl_id": "CHEMBL1395823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.37", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS-20625"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc3c4c([nH]cc-3c2=O)CCCCC4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829942", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829942, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PEPSTATIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830782", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830782, "molecule_chembl_id": "CHEMBL179242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "COMPOUND-401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830283", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEPRAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830283, "molecule_chembl_id": "CHEMBL87708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.97", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOFEPRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830503", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOSALICYLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830503, "molecule_chembl_id": "CHEMBL119888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.19", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O-MERCAPTO-BENZOIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835108", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835108, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfasalazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835623", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835623, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Disulfiram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835018", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITRENDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835018, "molecule_chembl_id": "CHEMBL475534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.37", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nitrendipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829999", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829999, "molecule_chembl_id": "CHEMBL55743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AFALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830145", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830145, "molecule_chembl_id": "CHEMBL432527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.69", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TERFENADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829737", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829737, "molecule_chembl_id": "CHEMBL33884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.51", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-113808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834701", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2.36 \u00b1 0.78", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.63", "bao_label": "organism-based format", "molecule_pref_name": "KETOCONAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834701, "molecule_chembl_id": "CHEMBL157101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SID124882653"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834813", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CETYLPYRIDINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834813, "molecule_chembl_id": "CHEMBL2003538", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "358.01", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CETYLPYRIDINIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835117", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXEDRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835117, "molecule_chembl_id": "CHEMBL33720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "synephrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835258", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835258, "molecule_chembl_id": "CHEMBL1716983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enisamium-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.002396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830344", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROPERIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830344, "molecule_chembl_id": "CHEMBL1108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.44", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DROPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835569", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPIROX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835569, "molecule_chembl_id": "CHEMBL1413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciclopirox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835337", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835337, "molecule_chembl_id": "CHEMBL2403108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.15", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LDK378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03368", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829735", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-690330", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829735, "molecule_chembl_id": "CHEMBL34819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.12", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-690330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccc(O)cc1)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830851", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830851, "molecule_chembl_id": "CHEMBL371811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.24", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DFB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cccc(/C=N/N=C/c2cccc(F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830365", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830365, "molecule_chembl_id": "CHEMBL97858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.33", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS/C(N)=C(C#N)/C(C#N)=C(\\N)SC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835684", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYPHENAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835684, "molecule_chembl_id": "CHEMBL2010507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methoxyphenamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08963", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)Cc1ccccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830612", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENAZOPYRIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830612, "molecule_chembl_id": "CHEMBL1201022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.71", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENAZOPYRIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830405", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLURIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830405, "molecule_chembl_id": "CHEMBL1129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.20", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834825", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALMITRINE MESYLATE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834825, "molecule_chembl_id": "CHEMBL3181957", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "669.78", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALMITRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830589", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABEPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830589, "molecule_chembl_id": "CHEMBL1200930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RABEPRAZOLE (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834248", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834248, "molecule_chembl_id": "CHEMBL4303443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.58", "alogp": "0.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFETAMET PIVOXIL (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834250", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834250, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835454", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835454, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "37, BMS-562247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829551", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURVALANOL B", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829551, "molecule_chembl_id": "CHEMBL23254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.91", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURVALANOL-B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829561", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOBENDAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829561, "molecule_chembl_id": "CHEMBL24646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMOBENDAN (VETMEDIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834099", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834099, "molecule_chembl_id": "CHEMBL3039355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DANAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835323", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXIBUPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835323, "molecule_chembl_id": "CHEMBL175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ibuprofen-(s)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835004", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORZOXAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835004, "molecule_chembl_id": "CHEMBL1371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.57", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorzoxazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832126, "molecule_chembl_id": "CHEMBL1230714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K02288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832424", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832424, "molecule_chembl_id": "CHEMBL1476646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.52", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-63802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\\C#N)c2nc3ccccc3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827722", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENSPIRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827722, "molecule_chembl_id": "CHEMBL1256849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.80", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenspiride hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2518", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832521", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832521, "molecule_chembl_id": "CHEMBL1591074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.42", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBS, N-CYCLOHEXYL-2-BENZOTHIAZOLESULFENAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SNC3CCCCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827817", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLCHICINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827817, "molecule_chembl_id": "CHEMBL107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.44", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Colchicine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827822", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEBRISOQUIN SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827822, "molecule_chembl_id": "CHEMBL1593558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.55", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Debrisoquin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832529", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832529, "molecule_chembl_id": "CHEMBL1598680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.53", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICARDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827917", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACENOCOUMAROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827917, "molecule_chembl_id": "CHEMBL397420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.33", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acenocoumarol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06193", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827827", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEBOPRIDE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827827, "molecule_chembl_id": "CHEMBL1599248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.96", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clebopride maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828372", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPANIDID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828372, "molecule_chembl_id": "CHEMBL2105345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propanidid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834589", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834589, "molecule_chembl_id": "CHEMBL4303564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-79948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830070", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CENTROPHENOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830070, "molecule_chembl_id": "CHEMBL1256131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.18", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECLOFENOXATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833696", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITRACONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833696, "molecule_chembl_id": "CHEMBL64391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "705.65", "alogp": "5.58", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ITRACONAZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832066", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPROPTERIN DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832066, "molecule_chembl_id": "CHEMBL1201775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.17", "alogp": "-1.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAPROPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831874", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831874, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUDARABINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831879", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831879, "molecule_chembl_id": "CHEMBL1096283", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WALRYCIN B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828281", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828281, "molecule_chembl_id": "CHEMBL1200820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.55", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Piperacillin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03401", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832984", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPRAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832984, "molecule_chembl_id": "CHEMBL2106753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.33", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUPRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832751", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832751, "molecule_chembl_id": "CHEMBL2270078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCORYDALINE (CHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831858", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVAGACESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831858, "molecule_chembl_id": "CHEMBL1090771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.89", "alogp": "3.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BMS-708163 (AVAGACESTAT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831531", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831531, "molecule_chembl_id": "CHEMBL521083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.28", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-118057"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832483", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832483, "molecule_chembl_id": "CHEMBL1534418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOPENTOLATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828440", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALBUPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828440, "molecule_chembl_id": "CHEMBL1201132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.91", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalbuphine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827797", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRACTOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827797, "molecule_chembl_id": "CHEMBL6995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Practolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2729", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832699", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832699, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828263", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLANDELATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828263, "molecule_chembl_id": "CHEMBL1480987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclandelate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834666", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LASOFOXIFENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834666, "molecule_chembl_id": "CHEMBL328190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.56", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LASOFOXIFENE (TARTRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830074", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830074, "molecule_chembl_id": "CHEMBL304428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-218078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834601", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834601, "molecule_chembl_id": "CHEMBL4303210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.31", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-T12-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(C(F)(F)F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828091", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONDANSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828091, "molecule_chembl_id": "CHEMBL1201111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.83", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ondansetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828279", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEMECLOCYCLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828279, "molecule_chembl_id": "CHEMBL1200474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.32", "alogp": "0.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Demeclocycline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832802", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832802, "molecule_chembl_id": "CHEMBL1996382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.22", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCOS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832065", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FESOTERODINE FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832065, "molecule_chembl_id": "CHEMBL1201765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.66", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FESOTERODINE FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828047", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828047, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832885", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832885, "molecule_chembl_id": "CHEMBL2103763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.40", "alogp": "-0.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829900", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829900, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANTHARIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831938", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMRUBICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831938, "molecule_chembl_id": "CHEMBL1186894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.47", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AMRUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833823", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833823, "molecule_chembl_id": "CHEMBL1200851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.29", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HOMATROPINE METHYLBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833893", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833893, "molecule_chembl_id": "CHEMBL4303479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.02", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ENCORAFENIB (LGX818)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832121", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832121, "molecule_chembl_id": "CHEMBL1230488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-HYDROXYECTOINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=N[C@H](C(=O)O)[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834761", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2.4 \u00b1 0.09", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OCTENIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834761, "molecule_chembl_id": "CHEMBL36342", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "623.84", "alogp": "9.63", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "OCTENIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2400.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827972", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827972, "molecule_chembl_id": "CHEMBL573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3529", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828197", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828197, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832629", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBROMOETHANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832629, "molecule_chembl_id": "CHEMBL1697852", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.76", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,2,2-TRIBROMOETHANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(Br)(Br)Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833387", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833387, "molecule_chembl_id": "CHEMBL3414619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC1999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833635", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOXILAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833635, "molecule_chembl_id": "CHEMBL1201075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "IOXILAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829186", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOCODAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829186, "molecule_chembl_id": "CHEMBL9514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.33", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOCODAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827772", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827772, "molecule_chembl_id": "CHEMBL1201049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.70", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Econazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827774", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827774, "molecule_chembl_id": "CHEMBL1200795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.97", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1711", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836565", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.173118474,0.122224875)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RITONAVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836565, "molecule_chembl_id": "CHEMBL163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "720.96", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "RTV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1477", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827757", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827757, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832463", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832463, "molecule_chembl_id": "CHEMBL1516077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENSUCCIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@H](c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839056", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839056, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valproic Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "235.1", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828249", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828249, "molecule_chembl_id": "CHEMBL3039178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.49", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinine ethyl carbonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6435", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828252", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METACETAMOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828252, "molecule_chembl_id": "CHEMBL9419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metacetamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832134", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMIPRON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832134, "molecule_chembl_id": "CHEMBL1231530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETAMIPRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832551", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832551, "molecule_chembl_id": "CHEMBL1615281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.32", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-104"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827768", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERGOLIDE MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827768, "molecule_chembl_id": "CHEMBL1275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.61", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pergolide mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.047", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832866", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832866, "molecule_chembl_id": "CHEMBL2069623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.82", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4800567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833895", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PX-12", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833895, "molecule_chembl_id": "CHEMBL406050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.32", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PX-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)SSc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832141", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEMORUBICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832141, "molecule_chembl_id": "CHEMBL1232279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "643.64", "alogp": "0.35", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NEMORUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832876", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832876, "molecule_chembl_id": "CHEMBL2088036", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NNC-63-0532"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832714", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INFIGRATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832714, "molecule_chembl_id": "CHEMBL1852688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.49", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "BGJ398 (NVP-BGJ398)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831168", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUBSTANCE P", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831168, "molecule_chembl_id": "CHEMBL235363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1347.66", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "SUBSTANCE-P"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838830", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838830, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1a (synthesized)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "286.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827776", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827776, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquin dihydrochloride dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832870", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VONOPRAZAN FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832870, "molecule_chembl_id": "CHEMBL2064032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VONOPRAZAN FUMARATE (TAK-438)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828175", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMATINIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828175, "molecule_chembl_id": "CHEMBL941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.62", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832647", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832647, "molecule_chembl_id": "CHEMBL1728279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VINCAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828181", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILDENAFIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828181, "molecule_chembl_id": "CHEMBL192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.59", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SILDENAFIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836019", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICAGRELOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836019, "molecule_chembl_id": "CHEMBL398435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ticagrelor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1754", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830947", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830947, "molecule_chembl_id": "CHEMBL426123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THALIDOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830864", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-173074", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830864, "molecule_chembl_id": "CHEMBL189584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.68", "alogp": "5.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD173074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830934", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830934, "molecule_chembl_id": "CHEMBL201945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.60", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAN-ORL-24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835720", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARFILZOMIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835720, "molecule_chembl_id": "CHEMBL451887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "719.92", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Carfilzomib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830647", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOLINIUM TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830647, "molecule_chembl_id": "CHEMBL1318287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.59", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOLINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835669", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANDIOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835669, "molecule_chembl_id": "CHEMBL1742466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.60", "alogp": "0.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "landiolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835525", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPICAPONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835525, "molecule_chembl_id": "CHEMBL1089318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.17", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Opicapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AES-103", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830824, "molecule_chembl_id": "CHEMBL185885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-(HYDROXYMETHYL)FURAN-2-CARBALDEHYDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830831", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRYPTOTANSHINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830831, "molecule_chembl_id": "CHEMBL187460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRYPTOTANSHINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830832", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE I", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830832, "molecule_chembl_id": "CHEMBL363535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.29", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANSHINONE I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835536", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835536, "molecule_chembl_id": "CHEMBL1201286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.51", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxyphenonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835538", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.257373144,0.045263952)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALIPERIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835538, "molecule_chembl_id": "CHEMBL1621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Paliperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835540", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835540, "molecule_chembl_id": "CHEMBL1502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pantoprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829926", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMCICLOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829926, "molecule_chembl_id": "CHEMBL880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMCICLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829853", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829853, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOSAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834558", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANESPIMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834558, "molecule_chembl_id": "CHEMBL109480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.70", "alogp": "2.54", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "17-AAG (TANESPIMYCIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834643", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834643, "molecule_chembl_id": "CHEMBL4303714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.47", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GS-143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C\\c3ccc(-c4ccccc4F)o3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834655", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834655, "molecule_chembl_id": "CHEMBL1204779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.40", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM-DODECYL-SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830649", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGLITINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830649, "molecule_chembl_id": "CHEMBL149930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.77", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEGLITINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835524", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835524, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Omeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827472", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANOLAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827472, "molecule_chembl_id": "CHEMBL1404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ranolazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827523", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIMEPIRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827523, "molecule_chembl_id": "CHEMBL1481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.63", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glimepiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04196", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836108", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESORIDAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836108, "molecule_chembl_id": "CHEMBL1088", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.59", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesoridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833126", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833126, "molecule_chembl_id": "CHEMBL2324344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.60", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PK-THPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832585", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832585, "molecule_chembl_id": "CHEMBL1626177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.11", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-BROMO-CAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827981", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827981, "molecule_chembl_id": "CHEMBL1091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cortisol acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.145", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832686", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832686, "molecule_chembl_id": "CHEMBL1775179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APD668"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833135", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2811376", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833135, "molecule_chembl_id": "CHEMBL2333941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.37", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2811376"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828736", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDARABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828736, "molecule_chembl_id": "CHEMBL1568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.24", "alogp": "-1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fludarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6189", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828437", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICORANDIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828437, "molecule_chembl_id": "CHEMBL284906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.18", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicorandil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO[N+](=O)[O-])c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828441", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMCINOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828441, "molecule_chembl_id": "CHEMBL1451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.44", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Triamcinolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1187", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832261", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832261, "molecule_chembl_id": "CHEMBL1255756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.68", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MELEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832266", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832266, "molecule_chembl_id": "CHEMBL1331148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.98", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832268", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832268, "molecule_chembl_id": "CHEMBL1331280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.74", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-581"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831060", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831060, "molecule_chembl_id": "CHEMBL376379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.21", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEMESETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831254", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIMAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831254, "molecule_chembl_id": "CHEMBL1515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.17", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc[nH]c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827586", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACETAMIDE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827586, "molecule_chembl_id": "CHEMBL1723241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfacetamide sodic hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.002362", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831262", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-VILOXAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831262, "molecule_chembl_id": "CHEMBL250052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.30", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VILOXAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OC[C@H]1CNCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831268", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831268, "molecule_chembl_id": "CHEMBL399239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.39", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GEMIFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831281", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831281, "molecule_chembl_id": "CHEMBL255683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.74", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(20S)-PROTOPANAXATRIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831284", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILARGININE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831284, "molecule_chembl_id": "CHEMBL1256175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.28", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TARGININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835912", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHISOQUIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835912, "molecule_chembl_id": "CHEMBL127643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimethisoquin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1395", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835917", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIRITHROMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835917, "molecule_chembl_id": "CHEMBL3039471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "835.09", "alogp": "2.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Dirithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836130", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836130, "molecule_chembl_id": "CHEMBL3094387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.25", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "mizolastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831181", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831181, "molecule_chembl_id": "CHEMBL1483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID170464897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832282", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832282, "molecule_chembl_id": "CHEMBL1337170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.20", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STATTIC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827589", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODOPA", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827589, "molecule_chembl_id": "CHEMBL1009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.008759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827303", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OSAJIN", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827303, "molecule_chembl_id": "CHEMBL238188", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Osajin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.95", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832043", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALGANCICLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832043, "molecule_chembl_id": "CHEMBL1200454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.83", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALGANCICLOVIR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827476", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALANTAMINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827476, "molecule_chembl_id": "CHEMBL1555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.27", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Galanthamine hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829120", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORTRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829120, "molecule_chembl_id": "CHEMBL1201156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.85", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORTRIPTYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833316", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833316, "molecule_chembl_id": "CHEMBL4290012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.71", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ABEMACICLIB (LY2835219)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828903", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTATHIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828903, "molecule_chembl_id": "CHEMBL1543", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.33", "alogp": "-2.21", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Glutathione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835918", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835918, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dofetilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831062", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAVIPIRAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831062, "molecule_chembl_id": "CHEMBL221722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.10", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FAVIPIRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(F)cnc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827477", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827477, "molecule_chembl_id": "CHEMBL1200809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.37", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azelastine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831179", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELEXIPAG", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831179, "molecule_chembl_id": "CHEMBL238804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.63", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SELEXIPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827355", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827355, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole Vetranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41460.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829707", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829707, "molecule_chembl_id": "CHEMBL284954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-297006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834894", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834894, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830791", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANETHOLTRITHION", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830791, "molecule_chembl_id": "CHEMBL178862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANETHOLE (TRITHIONE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=S)ss2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835383", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALIDIXIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835383, "molecule_chembl_id": "CHEMBL5", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.24", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalidixic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834821", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834821, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829718", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABAZINE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829718, "molecule_chembl_id": "CHEMBL303580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.23", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835398", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAMIPHEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835398, "molecule_chembl_id": "CHEMBL61946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caramiphen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829723", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONTELUKAST SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829723, "molecule_chembl_id": "CHEMBL1200681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.18", "alogp": "8.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MONTELUKAST SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835478", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFEPIME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835478, "molecule_chembl_id": "CHEMBL186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.57", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cefepime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1073", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829874", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829874, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUSPIRILENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830067", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830067, "molecule_chembl_id": "CHEMBL14", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.65", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBACHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830572", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830572, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "URIDINE TRIPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834895", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Active (P < 0.01)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834895, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830192", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENSERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830192, "molecule_chembl_id": "CHEMBL74926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENSERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830677", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830677, "molecule_chembl_id": "CHEMBL347496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.72", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EO-1428"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835585", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835585, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phthalylsulfathiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834912", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUNAZOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834912, "molecule_chembl_id": "CHEMBL188185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "bunazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830209", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN 23", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830209, "molecule_chembl_id": "CHEMBL76904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID90340984"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834916", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSPIRONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834916, "molecule_chembl_id": "CHEMBL49", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.51", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Buspirone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834919", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTENAFINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834919, "molecule_chembl_id": "CHEMBL990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.48", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Butenafine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830334", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETEROBARB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830334, "molecule_chembl_id": "CHEMBL327407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETEROBARB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835564", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHAPIRIN BENZATHINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835564, "molecule_chembl_id": "CHEMBL3989837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1087.29", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cephapirin Benzathine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1882", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.c1ccc(CNCCNCc2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830853", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MODAFINIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830853, "molecule_chembl_id": "CHEMBL1373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MODAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830621", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830621, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROTERONE-ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835560", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835560, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pidotimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830858", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARENFLURBIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830858, "molecule_chembl_id": "CHEMBL190083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FLURBIPROFEN-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828936", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVCYCLOSERINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828936, "molecule_chembl_id": "CHEMBL448864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S,-) Cycloserine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CONC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828751", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828751, "molecule_chembl_id": "CHEMBL1713496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.05", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Perospirone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833462", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833462, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828954", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANADREL SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828954, "molecule_chembl_id": "CHEMBL3184143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.64", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanadrel sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1316", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833662", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833662, "molecule_chembl_id": "CHEMBL140784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.11", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAZOL-5-YL-GLYCINE-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828959", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828959, "molecule_chembl_id": "CHEMBL15870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6441", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829076", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829076, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOXZOLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833780", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDICIDIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833780, "molecule_chembl_id": "CHEMBL1200647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1109.32", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CANDICIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833784", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EUCATROPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833784, "molecule_chembl_id": "CHEMBL1618660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.39", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EUCATROPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834073", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834073, "molecule_chembl_id": "CHEMBL1474552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EQUILIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830307", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-METHYLFURMETHIODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830307, "molecule_chembl_id": "CHEMBL1316369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-METHYLFURMETHIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C[N+](C)(C)C)o1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830506", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830506, "molecule_chembl_id": "CHEMBL332898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.81", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MY-5445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835106", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFALENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835106, "molecule_chembl_id": "CHEMBL1525826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfalene(SMPZ)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccnc1NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835219", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835219, "molecule_chembl_id": "CHEMBL283800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "creatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1325", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)O)C(=N)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830513", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830513, "molecule_chembl_id": "CHEMBL120735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.30", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-452533"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828933", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTACONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828933, "molecule_chembl_id": "CHEMBL1200725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.79", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SID56463153"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835647", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXADUSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835647, "molecule_chembl_id": "CHEMBL2338329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.35", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FG-4592"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4477", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835678", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835678, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mebendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2334", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835688", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLSIDOMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835688, "molecule_chembl_id": "CHEMBL1329455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.24", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Molsidomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834903", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834903, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "verapamil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830202", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830202, "molecule_chembl_id": "CHEMBL542207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.87", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CI-966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834411", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLARITHROMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834411, "molecule_chembl_id": "CHEMBL1741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "747.96", "alogp": "2.44", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "clarithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830687", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830687, "molecule_chembl_id": "CHEMBL1297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834926", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834926, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Candesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1663", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834425", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOTHILONE D", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834425, "molecule_chembl_id": "CHEMBL96172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.69", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "EPOTHILONE D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833976", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833976, "molecule_chembl_id": "CHEMBL277150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.21", "alogp": "-1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "POLYINOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829277", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R,S)-AMPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829277, "molecule_chembl_id": "CHEMBL13378", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPA-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(O)c1CC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828906", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABEMACICLIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828906, "molecule_chembl_id": "CHEMBL3301610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.61", "alogp": "4.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Abemaciclib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6364", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832831", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832831, "molecule_chembl_id": "CHEMBL2030402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.72", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL413 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153603", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153603, "molecule_chembl_id": "CHEMBL3951811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.13", "alogp": "3.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-37440"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962864", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962864, "molecule_chembl_id": "CHEMBL452887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.19", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-EBIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)[nH]c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963645", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963645, "molecule_chembl_id": "CHEMBL4303606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.40", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TP-003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963432", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLOMOUCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963432, "molecule_chembl_id": "CHEMBL280074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "olomoucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958445", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958445, "molecule_chembl_id": "CHEMBL468590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.33", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(C(=O)O)cc1CSCc1cc(C(=O)O)c(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958449", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRETAZICAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958449, "molecule_chembl_id": "CHEMBL23330", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.19", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TRETAZICAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958457", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958457, "molecule_chembl_id": "CHEMBL3961037", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.26", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylethyl resorcinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1ccccc1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963383", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963383, "molecule_chembl_id": "CHEMBL1807053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.41", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NGD-98-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958927", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLORFENICOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958927, "molecule_chembl_id": "CHEMBL1241590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLORFENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153296", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153296, "molecule_chembl_id": "CHEMBL37708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.57", "alogp": "6.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LE-135"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2cc3c(cc2N=C(c2ccc(C(=O)O)cc2)c2ccccc21)C(C)(C)CCC3(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148095", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIMEPIRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148095, "molecule_chembl_id": "CHEMBL1481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.63", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246710"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148357", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148357, "molecule_chembl_id": "CHEMBL4303191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.53", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "compound-58112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CN2C[Si](C)(C)O[Si](C)(C)C2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963032", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IRSOGLADINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963032, "molecule_chembl_id": "CHEMBL1712923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.17", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SAM001246718"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963699", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TINIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963699, "molecule_chembl_id": "CHEMBL1220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TINIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.066", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963768", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963768, "molecule_chembl_id": "CHEMBL3216524", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.44", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cutamesine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147889", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANFACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147889, "molecule_chembl_id": "CHEMBL1200494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.56", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANFACINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154366", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AVN-944", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154366, "molecule_chembl_id": "CHEMBL3349001", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVN-944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "760.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149942", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILANESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149942, "molecule_chembl_id": "CHEMBL2347655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Filanesib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154085", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SGI-1776", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154085, "molecule_chembl_id": "CHEMBL1952329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGI-1776"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149951", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCARNITINE PROPIONATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149951, "molecule_chembl_id": "CHEMBL2107420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.73", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Levocarnitine propionate (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957745", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGS-21680", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957745, "molecule_chembl_id": "CHEMBL331372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGS 21680"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957914", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957914, "molecule_chembl_id": "CHEMBL134", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.10", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Cl)c1N=C1NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154112", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OPROZOMIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154112, "molecule_chembl_id": "CHEMBL2103884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.62", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OPROZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962787", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962787, "molecule_chembl_id": "CHEMBL370438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Necrostatin 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153303", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153303, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS-777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148695", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILVADIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148695, "molecule_chembl_id": "CHEMBL517427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nilvadipine (ARC029)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963663", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963663, "molecule_chembl_id": "CHEMBL3561076", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.26", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETAZIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149185", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGAFUR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149185, "molecule_chembl_id": "CHEMBL20883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluorofur"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n(C2CCCO2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958189", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958189, "molecule_chembl_id": "CHEMBL46293", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "135.17", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Benzylformamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CNCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958198", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958198, "molecule_chembl_id": "CHEMBL397570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-347804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958936", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958936, "molecule_chembl_id": "CHEMBL4303167", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1093.33", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Caspofungin (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.768", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@@H](O)[C@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962997", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962997, "molecule_chembl_id": "CHEMBL460491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.67", "alogp": "5.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IT1t"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN2C(CS/C(=N\\C3CCCCC3)NC3CCCCC3)=CSC2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962814", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROSPIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962814, "molecule_chembl_id": "CHEMBL3084748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.97", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trospium chloride (Sanctura)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962816", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962816, "molecule_chembl_id": "CHEMBL3087498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.58", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGC 0946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963014", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963014, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AZITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.537", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153344", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGAPTEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153344, "molecule_chembl_id": "CHEMBL24171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BERGAPTEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2ccoc2cc2oc(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956818", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956818, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149015", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUNETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149015, "molecule_chembl_id": "CHEMBL491174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRUNETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149290", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSINOPRILAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149290, "molecule_chembl_id": "CHEMBL581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.50", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fosinoprilat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153671", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINBLASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153671, "molecule_chembl_id": "CHEMBL159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "810.99", "alogp": "3.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vinblastine sulfate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148752", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148752, "molecule_chembl_id": "CHEMBL1592663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.54", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIZOTYLINE MALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148824", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148824, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLEXANOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149763", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMEFANTRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149763, "molecule_chembl_id": "CHEMBL38827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.95", "alogp": "9.15", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lumefantrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149270", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149270, "molecule_chembl_id": "CHEMBL565923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.09", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149673", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149673, "molecule_chembl_id": "CHEMBL1327247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.46", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DH-97"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154555", "_score": 6.4147806, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DELANZOMIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154555, "molecule_chembl_id": "CHEMBL270515", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "413.28", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "DELANZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153277", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SR9009", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153277, "molecule_chembl_id": "CHEMBL1961796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.95", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR9009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148817", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148817, "molecule_chembl_id": "CHEMBL4159565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.01", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CE3F4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(cc(Br)c(F)c2Br)N1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153186", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153186, "molecule_chembl_id": "CHEMBL606201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.46", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JZL195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153188", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153188, "molecule_chembl_id": "CHEMBL1829305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.94", "alogp": "6.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC 0631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958354", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958354, "molecule_chembl_id": "CHEMBL356703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "90.15", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-METHYLISOTHIOUREA SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958668", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958668, "molecule_chembl_id": "CHEMBL1241589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3; BCI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccccc2)C(NC2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963187", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963187, "molecule_chembl_id": "CHEMBL267678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.41", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A205804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149103", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149103, "molecule_chembl_id": "CHEMBL1407943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.84", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CLEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149178", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149178, "molecule_chembl_id": "CHEMBL586702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.42", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZSTK474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149848", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLBUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149848, "molecule_chembl_id": "CHEMBL782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.35", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLBUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961659", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEXNIGULDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961659, "molecule_chembl_id": "CHEMBL2051956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "609.72", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dexniguldipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961660", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NATEGLINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961660, "molecule_chembl_id": "CHEMBL783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NATEGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963038", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMSULOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963038, "molecule_chembl_id": "CHEMBL1200914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.98", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tamsulosin_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963039", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963039, "molecule_chembl_id": "CHEMBL551466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.57", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aclidinium Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.191", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958439", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958439, "molecule_chembl_id": "CHEMBL395336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.21", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclic GMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958473", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EOSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958473, "molecule_chembl_id": "CHEMBL408917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "647.90", "alogp": "6.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-31.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149614", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DECAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149614, "molecule_chembl_id": "CHEMBL1134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.30", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DECAMETHONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958777", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-IBUPROPHEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958777, "molecule_chembl_id": "CHEMBL427526", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "IBUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150342", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150342, "molecule_chembl_id": "CHEMBL2408776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.05", "alogp": "6.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KB-SRC-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2Cc2cccc(-c3ccccc3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150347", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETOSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150347, "molecule_chembl_id": "CHEMBL2105044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Letosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CSCCC1NC(C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150358", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150358, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fudosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958580", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELNIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958580, "molecule_chembl_id": "CHEMBL1275868", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.66", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Azelnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958900", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958900, "molecule_chembl_id": "CHEMBL4303653", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "682.81", "alogp": "2.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "methyllycaconitine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34C2[C@H](OC)[C@](O)([C@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963544", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963544, "molecule_chembl_id": "CHEMBL247070", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AIM-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958948", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXFENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958948, "molecule_chembl_id": "CHEMBL42442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.35", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "OXFENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6992", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958666", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SQ109", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958666, "molecule_chembl_id": "CHEMBL561057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.56", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SQ109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.496", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956823", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINOLINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956823, "molecule_chembl_id": "CHEMBL286204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINOLINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962949", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOPOSIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962949, "molecule_chembl_id": "CHEMBL1200645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "668.54", "alogp": "1.10", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Etoposide phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956830", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOFEXIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956830, "molecule_chembl_id": "CHEMBL17860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOFEXIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958338", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958338, "molecule_chembl_id": "CHEMBL223496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119701"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958876", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958876, "molecule_chembl_id": "CHEMBL296480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "670.86", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Saquinavir Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150237", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZLOCILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150237, "molecule_chembl_id": "CHEMBL1201041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.48", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZLOCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148814", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-HIGENAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148814, "molecule_chembl_id": "CHEMBL501778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.32", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6;7-Dihydroxy-1-(4-Hydroxybenzyl)-1;2;3;4-tetrahydroisoquinoline Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153182", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153182, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIOGLITAZONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153183", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALSALATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153183, "molecule_chembl_id": "CHEMBL154111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALSALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1C(=O)O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153292", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153292, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-AZAGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149684", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROQUAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149684, "molecule_chembl_id": "CHEMBL268501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "proquazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152759", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ODANACATIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152759, "molecule_chembl_id": "CHEMBL481611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.57", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Odanacatib (MK 0822)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959163", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATB-346", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959163, "molecule_chembl_id": "CHEMBL4211107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.45", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ATB-346"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154433", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154433, "molecule_chembl_id": "CHEMBL2144958", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "415.50", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959106", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959106, "molecule_chembl_id": "CHEMBL4159565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.01", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CE3F4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(cc(Br)c(F)c2Br)N1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958884", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HETACILLIN POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958884, "molecule_chembl_id": "CHEMBL1201121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.57", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HETACILLIN POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152377", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152377, "molecule_chembl_id": "CHEMBL1603529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.43", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-352257"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC(=O)NC2CCCC(C)C2C)n1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154427", "_score": 6.4147806, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154427, "molecule_chembl_id": "CHEMBL412099", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "378.82", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MF63"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3ccccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148092", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCAINAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148092, "molecule_chembl_id": "CHEMBL605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCAINAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958469", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958469, "molecule_chembl_id": "CHEMBL176058", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.48", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD005393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958184", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLBORONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958184, "molecule_chembl_id": "CHEMBL21485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "121.93", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PHENYLBORONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963545", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APHIDICOLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963545, "molecule_chembl_id": "CHEMBL29711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.49", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aphidicolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963172", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REVERSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963172, "molecule_chembl_id": "CHEMBL188343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.50", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Reversine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956808", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956808, "molecule_chembl_id": "CHEMBL3341789", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-214117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963560", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963560, "molecule_chembl_id": "CHEMBL2107566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.82", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "somantadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.343", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)CC12CC3CC(CC(C3)C1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149631", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149631, "molecule_chembl_id": "CHEMBL122413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.75", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-366791"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147880", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147880, "molecule_chembl_id": "CHEMBL1400561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etiracetam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148155", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOFALCONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148155, "molecule_chembl_id": "CHEMBL1441961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.53", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Sofalcone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963076", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTETROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963076, "molecule_chembl_id": "CHEMBL1230314", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "estetrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.432", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958772", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958772, "molecule_chembl_id": "CHEMBL4303256", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "alclometasone-dipropionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2C3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959037", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOSUFLOXACIN TOSYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959037, "molecule_chembl_id": "CHEMBL104270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "576.55", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tosufloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963377", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963377, "molecule_chembl_id": "CHEMBL1395579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "105.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963642", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALVOCIDIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963642, "molecule_chembl_id": "CHEMBL2105698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "alvocidib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959038", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)PK-11195", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959038, "molecule_chembl_id": "CHEMBL416715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.87", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PK-11195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154129", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154129, "molecule_chembl_id": "CHEMBL4303250", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.57", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTH-01-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1cc3ccccc3cc1N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963420", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADRENALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963420, "molecule_chembl_id": "CHEMBL2103996", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADRENALONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963302", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963302, "molecule_chembl_id": "CHEMBL268229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-methylhistamine-dihydrobromide-(R)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.485", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)Cc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154071", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154071, "molecule_chembl_id": "CHEMBL3108909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.60", "alogp": "5.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SH-4-54"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962832", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESFLURBIPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962832, "molecule_chembl_id": "CHEMBL435298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.26", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Flurbiprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.105", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147002", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPOXALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147002, "molecule_chembl_id": "CHEMBL316040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEPOXALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958808", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958808, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CLOSANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961671", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961671, "molecule_chembl_id": "CHEMBL2087742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.42", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AL-8697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)(C)C)nnc2c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958541", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958541, "molecule_chembl_id": "CHEMBL1215474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085956"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CN1CCN(c2ccccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154156", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154156, "molecule_chembl_id": "CHEMBL26320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.59", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR12935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963537", "_score": 6.4147806, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD3514", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963537, "molecule_chembl_id": "CHEMBL2346976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "2.83", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD3514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836058", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ULIPRISTAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836058, "molecule_chembl_id": "CHEMBL2103846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.59", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ulipristal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1448", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830998", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-547", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830998, "molecule_chembl_id": "CHEMBL384304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "81.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832501", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832501, "molecule_chembl_id": "CHEMBL1557167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORCYCLOBENZAPRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828361", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVANAFIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828361, "molecule_chembl_id": "CHEMBL1963681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.96", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Avanafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C/N=c2\\[nH]c(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832787", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832787, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-1775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832540", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832540, "molecule_chembl_id": "CHEMBL1611218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOLINDONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C)[nH]c2c1C(=O)[C@H](CN1CCOCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834013", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834013, "molecule_chembl_id": "CHEMBL1456284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NKY-80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc2c(n1)CC(c1ccco1)CC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829314", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829314, "molecule_chembl_id": "CHEMBL1256027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.12", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-CHLOROPHENYLBIGUANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832799", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832799, "molecule_chembl_id": "CHEMBL1990168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.72", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTB1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829862", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALCITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829862, "molecule_chembl_id": "CHEMBL853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZALCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835485", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CELIPROLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835485, "molecule_chembl_id": "CHEMBL27810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "celiprolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835488", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETRIMONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835488, "molecule_chembl_id": "CHEMBL1183605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.55", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cetrimonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2709", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830785", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830785, "molecule_chembl_id": "CHEMBL178240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZIDOVUDINE [AZT]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830786", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HKI-357", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830786, "molecule_chembl_id": "CHEMBL178654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.06", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "HKI-357"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833918", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAMOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833918, "molecule_chembl_id": "CHEMBL418192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLAMOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835470", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZILSARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835470, "molecule_chembl_id": "CHEMBL57242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.46", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Azilsartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830768", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830768, "molecule_chembl_id": "CHEMBL176544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-441756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(/C=C2\\C(=O)Nc3cccnc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836537", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUCOSAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836537, "molecule_chembl_id": "CHEMBL493287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "-3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "glucosamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1709", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827201", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.03", "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827201, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9270.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834276", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834276, "molecule_chembl_id": "CHEMBL1738872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.52", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-F-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829576", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESALAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829576, "molecule_chembl_id": "CHEMBL704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESALAMINE (LIALDA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835278", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835278, "molecule_chembl_id": "CHEMBL32800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.36", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenoterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836549", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.344299282,0.083050627)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836549, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829651", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDOCROMIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829651, "molecule_chembl_id": "CHEMBL746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.35", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEDOCROMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838727", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M3", "pchembl_value": "5.48", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303775", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL245", "activity_id": 18838727, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3311.31", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.67", "sei": "19.46", "bei": "17.13", "le": "0.34"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838730", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303780", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838730, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity index for SigmaR1/R2 on-target Kd values vs. hERG ion channel", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834187", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2608204", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834187, "molecule_chembl_id": "CHEMBL4297399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "559.82", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "LY2608204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829885", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829885, "molecule_chembl_id": "CHEMBL540394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.15", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-METHIONINE METHYLSULFONIUM IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](C)CC[C@H](N)C(=O)O.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828138", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMHEXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828138, "molecule_chembl_id": "CHEMBL1319139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.60", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromhexine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.00411", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832844, "molecule_chembl_id": "CHEMBL2047811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.39", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828213", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOXIQUINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828213, "molecule_chembl_id": "CHEMBL1170610", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzoxiquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1cccc2cccnc12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833024", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833024, "molecule_chembl_id": "CHEMBL2106210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.72", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DETOMIDINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Cc2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838693", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE CURVE DOESN'T SATURATE AT 20 UM", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838693, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.899", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833644", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833644, "molecule_chembl_id": "CHEMBL375312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK429286A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833448", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLASCOTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833448, "molecule_chembl_id": "CHEMBL3590187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLASCOTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828337", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYCLIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828337, "molecule_chembl_id": "CHEMBL1761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.91", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Procyclidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7878", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834377", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834377, "molecule_chembl_id": "CHEMBL4303630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.64", "alogp": "2.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GELDANAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C/C=C(\\C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829977", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829977, "molecule_chembl_id": "CHEMBL53753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.19", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-158780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835114", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835114, "molecule_chembl_id": "CHEMBL1324296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.31", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulpiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2485", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835312", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANABENZ", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835312, "molecule_chembl_id": "CHEMBL420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.09", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "guanaben-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01672", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835316", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835316, "molecule_chembl_id": "CHEMBL399121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hesperetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835318", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXYLRESORCINOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835318, "molecule_chembl_id": "CHEMBL443605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.27", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hexylresorcinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835375", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835375, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "MLN2238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7016", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830672", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPROGIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830672, "molecule_chembl_id": "CHEMBL1289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HALOPROGIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cc(Cl)c(OCC#CI)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834969", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZLOCILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834969, "molecule_chembl_id": "CHEMBL1537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.50", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azlocillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833047", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833047, "molecule_chembl_id": "CHEMBL2140203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CANRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(C=CC4=CC(=O)CC[C@@]43C)C1CC[C@@]21CCC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828346", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828346, "molecule_chembl_id": "CHEMBL1704116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+) Levobunolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834247", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834247, "molecule_chembl_id": "CHEMBL4303683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "817.79", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BIO-5192"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(C)[C@@H](CC(C)C)C(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829460", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DITOLYLGUANIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829460, "molecule_chembl_id": "CHEMBL282433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.32", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DITOLYLGUANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=N)Nc1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834249", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZTHIAZIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834249, "molecule_chembl_id": "CHEMBL1201039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.95", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829463", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829463, "molecule_chembl_id": "CHEMBL277927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SK&F-10047-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834256", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834256, "molecule_chembl_id": "CHEMBL4303687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OMBERACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833997", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUFENURON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833997, "molecule_chembl_id": "CHEMBL1364906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.15", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LUFENURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832137", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832137, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "POLIDOCANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833142, "molecule_chembl_id": "CHEMBL2338352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.66", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-47965567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829355", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMONABANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829355, "molecule_chembl_id": "CHEMBL111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.80", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RIMONABANT (SR141716)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830558", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FRENTIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830558, "molecule_chembl_id": "CHEMBL128988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FRENTIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832557", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALIBEGRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832557, "molecule_chembl_id": "CHEMBL1354284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.83", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-2079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)Cc1ccc(OCCNC[C@H](O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833454, "molecule_chembl_id": "CHEMBL3603847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828952", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAZOLIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828952, "molecule_chembl_id": "CHEMBL1200523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.50", "alogp": "-0.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefazolin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828756", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828756, "molecule_chembl_id": "CHEMBL4303669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.11", "alogp": "-1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zoledronic acid hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834290", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834290, "molecule_chembl_id": "CHEMBL4303369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SP-141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(-c4cccc5ccccc45)nccc3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829593", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESAGLITAZAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829593, "molecule_chembl_id": "CHEMBL282686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.47", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TESAGLITAZAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834295", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834295, "molecule_chembl_id": "CHEMBL4303433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.13", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2,5-FURANDIMETHANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834296", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834296, "molecule_chembl_id": "CHEMBL4303331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "0.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MYRICITRIN (MYRICITRINE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834297", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYLCURCUMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834297, "molecule_chembl_id": "CHEMBL128748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.44", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DIMETHYLCURCUMIN, ASC-J9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829598", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUISQUALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829598, "molecule_chembl_id": "CHEMBL279956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.13", "alogp": "-2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-QUISQUALIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829600", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829600, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLANZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829611", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829611, "molecule_chembl_id": "CHEMBL27323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.37", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIBR1532"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834312", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834312, "molecule_chembl_id": "CHEMBL4303213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.44", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLNALTREXONE (BROMIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830876", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFAXALONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830876, "molecule_chembl_id": "CHEMBL190279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALFAXALONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827802", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827802, "molecule_chembl_id": "CHEMBL383144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.27", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-methyladenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1073", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832516", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832516, "molecule_chembl_id": "CHEMBL1572655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.05", "alogp": "5.93", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MITOTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836337", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARBOFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836337, "molecule_chembl_id": "CHEMBL478120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Marbofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SURAMIN HEXASODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829530, "molecule_chembl_id": "CHEMBL413376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1429.19", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "SURAMIN HEXASODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829584", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829584, "molecule_chembl_id": "CHEMBL430717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REC-15/2615"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829585", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829585, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAMIBAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "67.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829586", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIPRASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829586, "molecule_chembl_id": "CHEMBL1375743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.42", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZIPRASIDONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834288", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834288, "molecule_chembl_id": "CHEMBL4303276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.64", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "20-HYDROXYECDYSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829588", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINASTERIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829588, "molecule_chembl_id": "CHEMBL710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.55", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FINASTERIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834289", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834289, "molecule_chembl_id": "CHEMBL4303651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.43", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEUROPATHIAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829565", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIZOCILPINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829565, "molecule_chembl_id": "CHEMBL344151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIZOCILPINE-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12N[C@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834324", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRAMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834324, "molecule_chembl_id": "CHEMBL453514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "843.06", "alogp": "2.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "SPIRAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833959", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833959, "molecule_chembl_id": "CHEMBL4303701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.71", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS-72664"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829543", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFENAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829543, "molecule_chembl_id": "CHEMBL686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.29", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFENAMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829555", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829555, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHINYL ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829251", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPHENAMINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829251, "molecule_chembl_id": "CHEMBL180454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834258", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834258, "molecule_chembl_id": "CHEMBL4303380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.91", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZCL-278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831484", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831484, "molecule_chembl_id": "CHEMBL473773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.21", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WHI-P154"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829303", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829303, "molecule_chembl_id": "CHEMBL1255832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.70", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BU-224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2nc(C3=NCCN3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830542", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPRYLCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830542, "molecule_chembl_id": "CHEMBL2104800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPRYLCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)(C)COC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827986", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPEMIDIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827986, "molecule_chembl_id": "CHEMBL30116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.32", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pipemidic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834041", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCOPYRRONIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834041, "molecule_chembl_id": "CHEMBL1201335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.44", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYCOPYRROLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830960", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPYL MYRISTATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830960, "molecule_chembl_id": "CHEMBL207602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.46", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ISOPROPYL MYRISTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827994", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXIBUPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827994, "molecule_chembl_id": "CHEMBL175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(S,+) Ibuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.505", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827715", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMEQUINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827715, "molecule_chembl_id": "CHEMBL370252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.25", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flumequine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834323", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834323, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDARAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829631", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829631, "molecule_chembl_id": "CHEMBL1256740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.83", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-733060"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834214", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834214, "molecule_chembl_id": "CHEMBL4303293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834218", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834218, "molecule_chembl_id": "CHEMBL4303633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NASTORAZEPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829377", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "P-TOLUENESULFONAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829377, "molecule_chembl_id": "CHEMBL574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.22", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PARA-TOLUENESULFONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835624", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXERCALCIFEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835624, "molecule_chembl_id": "CHEMBL1200810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.66", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "doxercalciferol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830778", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830778, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RILPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828460", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASENAPINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828460, "molecule_chembl_id": "CHEMBL3544974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.85", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Asenapine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830991", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830991, "molecule_chembl_id": "CHEMBL214957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.01", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-803430"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831478", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831478, "molecule_chembl_id": "CHEMBL473136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.52", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-FUNALTREXAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832543", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARUMONAM SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832543, "molecule_chembl_id": "CHEMBL2104060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.37", "alogp": "-2.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CARUMONAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832715", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INGENOL MEBUTATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832715, "molecule_chembl_id": "CHEMBL1863513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.54", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INGENOL MEBUTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834011", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL BENZOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834011, "molecule_chembl_id": "CHEMBL282575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.50", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ESTRADIOL BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVIBACTAM SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832624, "molecule_chembl_id": "CHEMBL2107817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.23", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AVIBACTAM (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829316", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829316, "molecule_chembl_id": "CHEMBL14642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "559.71", "alogp": "2.96", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-470539"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836022", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILMICOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836022, "molecule_chembl_id": "CHEMBL1908333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.15", "alogp": "3.34", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "tilmicosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOTROPIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832738, "molecule_chembl_id": "CHEMBL3545181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.44", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOTROPIUM BROMIDE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829118", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHOXAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829118, "molecule_chembl_id": "CHEMBL443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.28", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828687", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828687, "molecule_chembl_id": "CHEMBL3182014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.92", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bunazosin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833714", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTOFILOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833714, "molecule_chembl_id": "CHEMBL157443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.40", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTOFILOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833887", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOHEXADIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833887, "molecule_chembl_id": "CHEMBL1451179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.23", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-ETHYL-1,3-HEXANEDIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(O)C(CC)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828701", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTIRELIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828701, "molecule_chembl_id": "CHEMBL1472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.39", "alogp": "-1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thyrotropin-Releasing Hormone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829805", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMEPRAZINE TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829805, "molecule_chembl_id": "CHEMBL1713082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.54", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMEPRAZINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829280", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829280, "molecule_chembl_id": "CHEMBL1201103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.72", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)C(C)N)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834509", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834509, "molecule_chembl_id": "CHEMBL4303490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUN-11602"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c(NCC(=O)N(C)C2CCN(Cc3ccc(C(N)=O)cc3)CC2)c(C)c(C)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828125", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCARBAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828125, "molecule_chembl_id": "CHEMBL1200410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "1.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Procarbazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4361", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNNCc1ccc(C(=O)NC(C)C)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832939", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSPEMIFENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832939, "molecule_chembl_id": "CHEMBL2105395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OSPEMIFENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828250", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828250, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Timonacic"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2679", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828321", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSFOSAL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828321, "molecule_chembl_id": "CHEMBL287275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.10", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fosfosal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1OP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833030", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAROPITANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833030, "molecule_chembl_id": "CHEMBL2111099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.69", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MAROPITANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834098", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834098, "molecule_chembl_id": "CHEMBL4303197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SARI-59-801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1noc(C)c1-c1[nH]c2ccccc2c1C(O)CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833033", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSFRUCTOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833033, "molecule_chembl_id": "CHEMBL2111113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.11", "alogp": "-2.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D-FRUCTOSE-1,6-DIPHOSPHATE TRISODIUM SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829671", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829671, "molecule_chembl_id": "CHEMBL1256924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.65", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-100635 MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HIPPURIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829153, "molecule_chembl_id": "CHEMBL461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HIPPURIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833869", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYSAFFLOR YELLOW A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833869, "molecule_chembl_id": "CHEMBL1172243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.54", "alogp": "-4.40", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "HYDROXYSAFFLOR YELLOW A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830718", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCARBAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830718, "molecule_chembl_id": "CHEMBL1200410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "1.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCARBAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNNCc1ccc(C(=O)NC(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831741", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACEPINEPHRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831741, "molecule_chembl_id": "CHEMBL1740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-ADRENALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834197", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834197, "molecule_chembl_id": "CHEMBL1234757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEGLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-28.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834709", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5.68 \u00b1 0.04", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.25", "bao_label": "organism-based format", "molecule_pref_name": "LONAFARNIB", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834709, "molecule_chembl_id": "CHEMBL298734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.83", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LONAFARNIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5680.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829705", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829705, "molecule_chembl_id": "CHEMBL33227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.38", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-328437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829634", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPEMIDIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829634, "molecule_chembl_id": "CHEMBL30116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.32", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pipemidic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829511", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829511, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Estradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829637", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICORANDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829637, "molecule_chembl_id": "CHEMBL284906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.18", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICORANDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO[N+](=O)[O-])c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829750", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829750, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829537", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829537, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830617", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILDAGLIPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830617, "molecule_chembl_id": "CHEMBL142703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.41", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILDAGLIPTIN (LAF-237)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838946", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M1", "pchembl_value": null, "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303090", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL216", "activity_id": 18838946, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31622.78", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836325", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836325, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LACIDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0561", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827299", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LUSUTROMBOPAG", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827299, "molecule_chembl_id": "CHEMBL2107831", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "591.56", "alogp": "8.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lusutrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.87", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\\C)C(=O)O)c(Cl)c3)n2)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838957", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838957, "molecule_chembl_id": "CHEMBL4109308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.90", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831460", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-CITRULLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831460, "molecule_chembl_id": "CHEMBL444814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.19", "alogp": "-1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-CITRULLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833433", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833433, "molecule_chembl_id": "CHEMBL3545432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "IXAZOMIB CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831467", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831467, "molecule_chembl_id": "CHEMBL460491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.67", "alogp": "5.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IT1T"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CN2C(CS/C(=N\\C3CCCCC3)NC3CCCCC3)=CSC2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833155", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RICOLINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833155, "molecule_chembl_id": "CHEMBL2364628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ACY-1215"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832828", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICATIBANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832828, "molecule_chembl_id": "CHEMBL2028850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1304.55", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ICATIBANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832934", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISATORIBINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832934, "molecule_chembl_id": "CHEMBL2105116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.30", "alogp": "-2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-AMINO-3-D-RIBOFURANOSYLTHIAZOLO[4,5-D]PYRIMIDIN-2,7(3H,6H)-DIONE;  7-THIA-8-OXOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PELANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833019, "molecule_chembl_id": "CHEMBL2110706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.45", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PELANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828317", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828317, "molecule_chembl_id": "CHEMBL1374738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Furazolidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6597", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829094", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLIN G POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829094, "molecule_chembl_id": "CHEMBL1223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.49", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLIN G POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830705", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830705, "molecule_chembl_id": "CHEMBL158507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,3-DIPROPYL-8-PHENYLXANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829295", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829295, "molecule_chembl_id": "CHEMBL543741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMY-7378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835417", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENETOCLAX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835417, "molecule_chembl_id": "CHEMBL3137309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "868.46", "alogp": "8.66", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ABT-199"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1129", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829296", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXATOMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829296, "molecule_chembl_id": "CHEMBL13828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.56", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXATOMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836065", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836065, "molecule_chembl_id": "CHEMBL554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.07", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lapatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09821", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834061", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834061, "molecule_chembl_id": "CHEMBL4303485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1664.92", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "THIOSTREPTON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "108.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@](C)(O)[C@@H](C)O)NC(=O)[C@H]5CSC(=N5)/C(=C/C)NC(=O)C([C@@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)C([C@@H](C)CC)NC2C=Cc3c([C@H](C)O)cc(nc3C2O)C(=O)O[C@@H]4C)n1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832927", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORNIFLUMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832927, "molecule_chembl_id": "CHEMBL2105059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MORNIFLUMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831252", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRBESARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831252, "molecule_chembl_id": "CHEMBL1513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IRBESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830759", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830759, "molecule_chembl_id": "CHEMBL173562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-HYDROXYETHYL SALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCO)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833829, "molecule_chembl_id": "CHEMBL1201081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.53", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE SODIUM SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834380", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834380, "molecule_chembl_id": "CHEMBL4303457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.30", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ILEPCIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C=Cc1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829638", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829638, "molecule_chembl_id": "CHEMBL431298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.00", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 271046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835924", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXYCYCLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835924, "molecule_chembl_id": "CHEMBL1433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.44", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Doxycycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02175", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831055", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831055, "molecule_chembl_id": "CHEMBL3138633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.56", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RIBOSTAMYCIN (SULFATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830867", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-KETOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830867, "molecule_chembl_id": "CHEMBL372052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KETOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838987", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838987, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin (Sirolimus)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831266, "molecule_chembl_id": "CHEMBL399121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HESPERETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831824", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIZOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831824, "molecule_chembl_id": "CHEMBL601719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.35", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CRIZOTINIB (PF-02341066)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831832", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831832, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PKC-412 (MIDOSTAURIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-37.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838955", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838955, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.71", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836331", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836331, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lidoflazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2006", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832014", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARMODAFINIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832014, "molecule_chembl_id": "CHEMBL1201192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARMODAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827314", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827314, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838969", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838969, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "272.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831490", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831490, "molecule_chembl_id": "CHEMBL472994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.49", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GANT-58"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2sc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827330", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.04", "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827330, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836029", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCAINIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836029, "molecule_chembl_id": "CHEMBL1762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tocainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08565", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C(C)N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831054", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KU-55933", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831054, "molecule_chembl_id": "CHEMBL222102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1; KU55933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839052", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Depositor Activity Comments:Inactive? Curator Activity Comments: Potential Data Validity Issues", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.46", "bao_label": "organism-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839052, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tomivosertib (eFT-508)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "346.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829248", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829248, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CLOSANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "79.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835951", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835951, "molecule_chembl_id": "CHEMBL553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erlotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831083", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831083, "molecule_chembl_id": "CHEMBL388727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARTHENOLIDE-(ALTERNATE-STEREO)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832069", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN 5'-PHOSPHATE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832069, "molecule_chembl_id": "CHEMBL3989697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.36", "alogp": "-1.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RIBOFLAVIN 5-PHOSPHATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832431", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHENZAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832431, "molecule_chembl_id": "CHEMBL1483877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.19", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-27.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839017", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839017, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.786", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828352", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828352, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Simvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0735", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832081", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832081, "molecule_chembl_id": "CHEMBL541505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.44", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM TETRADECYL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827246", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827246, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27340.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831951", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPYRAMIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831951, "molecule_chembl_id": "CHEMBL550011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.27", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROPYRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838902", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838902, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olanzapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.54", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827256", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827256, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Osimertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13230.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838911", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838911, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "279.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827258", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827258, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oxyclozanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831965", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831965, "molecule_chembl_id": "CHEMBL1200384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.60", "alogp": "3.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BETAMETHASONE 17,21-DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827266", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827266, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tetrandrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14920.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831971", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETRORELIX ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831971, "molecule_chembl_id": "CHEMBL2103735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1491.12", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CETRORELIX (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831972", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLOMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831972, "molecule_chembl_id": "CHEMBL1200500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BECLOMETHASONE DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827270", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827270, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14730.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831976", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831976, "molecule_chembl_id": "CHEMBL1200596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.05", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827274", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BAZEDOXIFENE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827274, "molecule_chembl_id": "CHEMBL46740", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "470.61", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bazedoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.35", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832754", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832754, "molecule_chembl_id": "CHEMBL1921985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAK-700 (ORTERONEL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832422", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832422, "molecule_chembl_id": "CHEMBL1476397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.54", "alogp": "7.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-11302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(=C/C=C/C(C)=C/C(=O)O)c2ccc(C)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832953", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LESINURAD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832953, "molecule_chembl_id": "CHEMBL2105720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.29", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LESINURAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839009", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839009, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Brivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "225423921.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828259", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLPERISONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828259, "molecule_chembl_id": "CHEMBL1395150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.83", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tolperisone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.172", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829870", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829870, "molecule_chembl_id": "CHEMBL43152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.31", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-166793"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836009", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOPHYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836009, "molecule_chembl_id": "CHEMBL190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Theophylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2nc[nH]c2n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835955", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACRYNIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835955, "molecule_chembl_id": "CHEMBL456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "etacrynic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831591", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831591, "molecule_chembl_id": "CHEMBL497802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.08", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-IODO-6-PHENYLPYRIMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Ic1cc(-c2ccccc2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831044", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NBQX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831044, "molecule_chembl_id": "CHEMBL222519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839062", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839062, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831827", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Z160", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831827, "molecule_chembl_id": "CHEMBL604710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.62", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NP118809"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831811", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEDATOLISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831811, "molecule_chembl_id": "CHEMBL592445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.74", "alogp": "3.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-05212384 (PKI-587)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830543", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILAZEP HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830543, "molecule_chembl_id": "CHEMBL1256327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "641.16", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DILAZEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833584", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALAGLITAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833584, "molecule_chembl_id": "CHEMBL2103991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.44", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BALAGLITAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828184", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828184, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nelfinavir mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832888", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASIMELTEON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832888, "molecule_chembl_id": "CHEMBL2103822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TASIMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828743", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALMEFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828743, "molecule_chembl_id": "CHEMBL1201152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.90", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nalmefene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828198", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRAMUSTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828198, "molecule_chembl_id": "CHEMBL1575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "0089201:01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832901", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MACITENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832901, "molecule_chembl_id": "CHEMBL2103873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.28", "alogp": "3.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MACITENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833450, "molecule_chembl_id": "CHEMBL3597952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.49", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "22; ACT-462206"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833451", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833451, "molecule_chembl_id": "CHEMBL3600873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-5108 (VX-689)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828749", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALGESTONE ACETOPHENIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828749, "molecule_chembl_id": "CHEMBL2105993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.60", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Algestone acetophenide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3036", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]12OC(C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834063", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834063, "molecule_chembl_id": "CHEMBL4303426", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.40", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(1,2-DIPHENYLETHYL)PIPERIDINE-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CC(c2ccccc2)N2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829771", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROSARTAN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829771, "molecule_chembl_id": "CHEMBL1200987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.63", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPROSARTAN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834473", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834473, "molecule_chembl_id": "CHEMBL4303623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.23", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZLN-024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(OCCSc2ncccn2)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829775", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVOXAMINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829775, "molecule_chembl_id": "CHEMBL1409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUVOXAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829776", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINOPROST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829776, "molecule_chembl_id": "CHEMBL815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROSTAGLANDIN F2 ALPHA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834125", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDAPAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834125, "molecule_chembl_id": "CHEMBL406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDAPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829426", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALTREXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829426, "molecule_chembl_id": "CHEMBL1201149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.87", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALTREXONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRATROPIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834127, "molecule_chembl_id": "CHEMBL2134724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IPRATROPIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828836", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828836, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pimozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833540", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833540, "molecule_chembl_id": "CHEMBL3951811", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.13", "alogp": "3.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-37440"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828841", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUSIDATE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828841, "molecule_chembl_id": "CHEMBL2106707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.70", "alogp": "5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Fusidic acid sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09958", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)C4CC[C@@]32C)/C1=C(\\CCC=C(C)C)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833547", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVOSENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833547, "molecule_chembl_id": "CHEMBL3989834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.52", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AVOSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829057", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829057, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUMAZENIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828987", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.62", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828987, "molecule_chembl_id": "CHEMBL1256817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.30", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clemizole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23940.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833634", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833634, "molecule_chembl_id": "CHEMBL4303560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "CHLOROPHYLLIDE CU COMPLEX NA SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829887", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMBUTOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829887, "molecule_chembl_id": "CHEMBL3140361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.24", "alogp": "-0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMBUTOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834590", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMBELIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834590, "molecule_chembl_id": "CHEMBL221137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.39", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMBELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830571", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1-Aminocyclopropane carboxylic acid", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830571, "molecule_chembl_id": "CHEMBL265325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "101.11", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-AMINOCYCLOPROPANECARBOXYLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830300", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELIFLAPON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830300, "molecule_chembl_id": "CHEMBL88712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "VELIFLAPON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833711", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833711, "molecule_chembl_id": "CHEMBL4303549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.47", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TENOFOVIR ALAFENAMIDE (GS-7340)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829668", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829668, "molecule_chembl_id": "CHEMBL31741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-701324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834354", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834354, "molecule_chembl_id": "CHEMBL4303723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.37", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIVOBULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1cc2c(c(N)n1)NC(c1ccccc1)=C(C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834179", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834179, "molecule_chembl_id": "CHEMBL363419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.37", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS3777 OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2nc3ncnc-3c(NC3CCCCC3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834277", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834277, "molecule_chembl_id": "CHEMBL4303267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NNc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834347", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834347, "molecule_chembl_id": "CHEMBL4303391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-DIAZO-5-OXO-L-NORLEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#[N+]/C=C(\\[O-])CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830969", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830969, "molecule_chembl_id": "CHEMBL210833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.44", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-359"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830975", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830975, "molecule_chembl_id": "CHEMBL379218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-674563"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "53.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836054", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPISETRON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836054, "molecule_chembl_id": "CHEMBL56564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tropisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836034", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLPERISONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836034, "molecule_chembl_id": "CHEMBL1076211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.37", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tolperisone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08796", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827373", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.98", "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827373, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10440.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832608", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832608, "molecule_chembl_id": "CHEMBL1651524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.47", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-3845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827543", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRABEGRON", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827543, "molecule_chembl_id": "CHEMBL2095212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.52", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirabegron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01835", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832401", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLYLTHIOUREA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832401, "molecule_chembl_id": "CHEMBL1451910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.19", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLYLTHIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827674", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827674, "molecule_chembl_id": "CHEMBL4303206", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1317.46", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Dihydroergotamine tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5699", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832380", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAQUINOXALINE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832380, "molecule_chembl_id": "CHEMBL1527324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.33", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfaquinoxaline sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827677", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827677, "molecule_chembl_id": "CHEMBL4303183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Josamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832389", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832389, "molecule_chembl_id": "CHEMBL1445833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHISTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832707", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832707, "molecule_chembl_id": "CHEMBL1829173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.45", "alogp": "6.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMG 837 (CALCIUM HYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832620", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832620, "molecule_chembl_id": "CHEMBL1673046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XMD8-92"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832716", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINCAINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832716, "molecule_chembl_id": "CHEMBL1867802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PINCAINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828019", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALIDOXIME CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828019, "molecule_chembl_id": "CHEMBL748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.61", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralidoxime chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccccc1/C=N/O.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830822", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830822, "molecule_chembl_id": "CHEMBL186872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.22", "alogp": "-1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRIMA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CCN(CC2)C1(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832321", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832321, "molecule_chembl_id": "CHEMBL1374426", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCN1C(=O)C=CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832681", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832681, "molecule_chembl_id": "CHEMBL1771212", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.51", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SD-2590"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832604", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832604, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AR-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828411", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMPROFAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828411, "molecule_chembl_id": "CHEMBL1475693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.53", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Famprofazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832663", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832663, "molecule_chembl_id": "CHEMBL1742402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.38", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPANYL-3,5-DIMETHYLBENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833119", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833119, "molecule_chembl_id": "CHEMBL2313646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HJC-0350"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828418", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENETHICILLIN POTASSIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828418, "molecule_chembl_id": "CHEMBL2364720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.51", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenethicillin potassium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[K+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827964", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESCITALOPRAM OXALATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827964, "molecule_chembl_id": "CHEMBL1200322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Escitalopram oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09542", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827973", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMEGRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827973, "molecule_chembl_id": "CHEMBL1214192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bemegride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1073", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC(=O)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829780", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829780, "molecule_chembl_id": "CHEMBL287833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.27", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CO-102862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834481", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVASTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834481, "molecule_chembl_id": "CHEMBL1078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUVASTATIN SODIUM (LESCOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834484", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834484, "molecule_chembl_id": "CHEMBL1233638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.09", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-IODO-L-PHENYLALANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1ccc(I)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829786", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPICATECHIN GALLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829786, "molecule_chembl_id": "CHEMBL36327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.38", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(-)-EPICATECHIN GALLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829409", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAXOPRODIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829409, "molecule_chembl_id": "CHEMBL17350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CP 101606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832460", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832460, "molecule_chembl_id": "CHEMBL1514751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.45", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-PMDQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829418", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SR-2640", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829418, "molecule_chembl_id": "CHEMBL18132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SID11114220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827758", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUMETANIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827758, "molecule_chembl_id": "CHEMBL1072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bumetanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6007", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833909", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMEFANTRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833909, "molecule_chembl_id": "CHEMBL38827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.95", "alogp": "9.15", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LUMEFANTRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835232", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESVENLAFAXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835232, "molecule_chembl_id": "CHEMBL1118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desvenlafaxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0828", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835233", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DETOMIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835233, "molecule_chembl_id": "CHEMBL2110829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.26", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Detomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2278", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Cc2c[nH]cn2)c1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830734", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830734, "molecule_chembl_id": "CHEMBL353759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.40", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-41-2272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835243", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835243, "molecule_chembl_id": "CHEMBL90568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diosmetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3872", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830752", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1,4-BUTANEDIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830752, "molecule_chembl_id": "CHEMBL171623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "90.12", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,4-BUTANEDIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829331", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVOCIDIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829331, "molecule_chembl_id": "CHEMBL2105698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ALVOCIDIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835104", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835104, "molecule_chembl_id": "CHEMBL4303535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "stetaderm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1009", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834100", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834100, "molecule_chembl_id": "CHEMBL237352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.54", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TIE2 KINASE INHIBITOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(-c3nc(-c4ccc([S+](C)[O-])cc4)[nH]c3-c3ccncc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834101, "molecule_chembl_id": "CHEMBL3040629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC2C3CC(CN12)[C@@H]1CCCCN1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827592", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827592, "molecule_chembl_id": "CHEMBL609587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Minoxidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.002315", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=c1nc(N2CCCCC2)cc(N)n1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832350", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832350, "molecule_chembl_id": "CHEMBL1407943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.84", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CLEMIZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827689", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827689, "molecule_chembl_id": "CHEMBL1531817", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.66", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Riluzole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04491", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1nc2ccc(OC(F)(F)F)cc2s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827693", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANEXAMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827693, "molecule_chembl_id": "CHEMBL877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.21", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tranexamic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827694", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827694, "molecule_chembl_id": "CHEMBL67391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.66", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tranylcypromine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.005476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N[C@H]1C[C@@H]1c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831862", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARDOXOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831862, "molecule_chembl_id": "CHEMBL1093059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.67", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BARDOXOLONE; RTA 401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827160", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.52", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827160, "molecule_chembl_id": "CHEMBL4303448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.56", "alogp": "1.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VBY-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "300.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831864", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENDOXIFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831864, "molecule_chembl_id": "CHEMBL1093458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.50", "alogp": "5.36", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ENDOXIFEN HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832406", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832406, "molecule_chembl_id": "CHEMBL1457003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.74", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINETHAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827708", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXOLINIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827708, "molecule_chembl_id": "CHEMBL416755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.23", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxolinic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2586", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827714", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUFENAMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827714, "molecule_chembl_id": "CHEMBL23588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.23", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flufenamic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02223", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838831", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838831, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.18", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827178", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.46", "bao_label": "organism-based format", "molecule_pref_name": "BAZEDOXIFENE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827178, "molecule_chembl_id": "CHEMBL46740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.61", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bazedoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3440.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827348", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827348, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30330.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827716", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLFENAMIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827716, "molecule_chembl_id": "CHEMBL121626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.71", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolfenamic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832421", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOMEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832421, "molecule_chembl_id": "CHEMBL1476022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NOMEGESTROL-ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838840", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838840, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.037", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827189", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.18", "bao_label": "organism-based format", "molecule_pref_name": "DROLOXIFENE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827189, "molecule_chembl_id": "CHEMBL487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.52", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Droloxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6600.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832063", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEPOTASTINE BESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832063, "molecule_chembl_id": "CHEMBL1201759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.07", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BEPOTASTINE BESILATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832067", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARGLUMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832067, "molecule_chembl_id": "CHEMBL1201780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARGLUMIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830661", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830661, "molecule_chembl_id": "CHEMBL347285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.11", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CIS-ACONITIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C(/CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835371", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MICONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835371, "molecule_chembl_id": "CHEMBL91", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Miconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.003347", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827978", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827978, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Promethazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIPONIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833138, "molecule_chembl_id": "CHEMBL2336071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "6.77", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BAF312 (SIPONIMOD)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832818", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPARLISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832818, "molecule_chembl_id": "CHEMBL2017974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BKM120 (NVP-BKM120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830644", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLAFENINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830644, "molecule_chembl_id": "CHEMBL146095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.81", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLAFENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830654", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830654, "molecule_chembl_id": "CHEMBL347502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.41", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOGUISTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827537", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827537, "molecule_chembl_id": "CHEMBL1200941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.28", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thiamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832400", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832400, "molecule_chembl_id": "CHEMBL1451838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.32", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICYCLOHEXYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(NC2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832561", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832561, "molecule_chembl_id": "CHEMBL1617363", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.37", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAU-5884"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N1Cc3ccccc3NC1=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827671", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORHEXIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827671, "molecule_chembl_id": "CHEMBL790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.46", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Chlorhexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827664", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRONOLACTONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827664, "molecule_chembl_id": "CHEMBL1393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Spironolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832538", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832538, "molecule_chembl_id": "CHEMBL1610678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETAMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827834", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827834, "molecule_chembl_id": "CHEMBL197027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.35", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hemicholinium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCOC(O)(c2ccc(-c3ccc(C4(O)C[N+](C)(C)CCO4)cc3)cc2)C1.[Br-].[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832618", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832618, "molecule_chembl_id": "CHEMBL1672558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-SP-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828006", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828006, "molecule_chembl_id": "CHEMBL2358532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.47", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nizatidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5295", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C/[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832713", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM GUALENATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832713, "molecule_chembl_id": "CHEMBL1837010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SODIUM GUALENATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832680", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIROGACESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832680, "molecule_chembl_id": "CHEMBL1770916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.66", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NIROGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832682", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832682, "molecule_chembl_id": "CHEMBL1773685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.39", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EZUTROMID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832742", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832742, "molecule_chembl_id": "CHEMBL1907089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.45", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc(F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827954", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIPRASIDONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827954, "molecule_chembl_id": "CHEMBL1712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.41", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ziprasidone  hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01483", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827936", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRACETAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827936, "molecule_chembl_id": "CHEMBL36715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.004357", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827879", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827879, "molecule_chembl_id": "CHEMBL1324020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.88", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Meclozine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833416", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833416, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TIDEGLUSIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832813", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832813, "molecule_chembl_id": "CHEMBL2012582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "3.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LRRK2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOTEPREDNOL ETABONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831990, "molecule_chembl_id": "CHEMBL1200865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.96", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOTEPREDNOL ETABONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827970", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827970, "molecule_chembl_id": "CHEMBL4303515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.44", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rabeprazole sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5892", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831992", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYL AMINOSALICYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831992, "molecule_chembl_id": "CHEMBL1200868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYL AMINOSALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Oc2ccccc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831849", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831849, "molecule_chembl_id": "CHEMBL1078974", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.58", "alogp": "1.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EG00229"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831068", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAUROCHOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831068, "molecule_chembl_id": "CHEMBL224867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.71", "alogp": "2.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TAUROCHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832275", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832275, "molecule_chembl_id": "CHEMBL1332716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "RIFAMPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839029", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE, MAYBE CYTOTOXIC", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839029, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK128; 73"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832291", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832291, "molecule_chembl_id": "CHEMBL1355077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPYL-BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832230", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832230, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROPROPIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832345", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832345, "molecule_chembl_id": "CHEMBL1402866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.29", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-26763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827376", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.10", "bao_label": "organism-based format", "molecule_pref_name": "THIETHYLPERAZINE MALEATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827376, "molecule_chembl_id": "CHEMBL3989478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "631.77", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thiethylperazine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8020.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839041", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE, MAYBE CYTOTOXIC", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839041, "molecule_chembl_id": "CHEMBL4303784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.03", "alogp": "1.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ternatin 4 (DA3)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C(=O)C(C(C)CC)NC(=O)C(C(O)C(C)C)NC(=O)C2CCCCN2C(=O)C(C)N(C)C1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831878", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESNA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831878, "molecule_chembl_id": "CHEMBL975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MESNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCS.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832508", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832508, "molecule_chembl_id": "CHEMBL1565882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.24", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GIDAZEPAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828311", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828311, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833046", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833046, "molecule_chembl_id": "CHEMBL2140173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.68", "alogp": "4.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KU-60019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827368", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.27", "bao_label": "organism-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827368, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5320.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827370", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.95", "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827370, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11170.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833057", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833057, "molecule_chembl_id": "CHEMBL2146753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.31", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc2nc(COCc3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827739", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGLUMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827739, "molecule_chembl_id": "CHEMBL316561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proglumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09912", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832537", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832537, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832733", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832733, "molecule_chembl_id": "CHEMBL1886787", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.67", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FOSINOPRIL SODIUM (MONOPRIL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832257", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832257, "molecule_chembl_id": "CHEMBL1324296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.31", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832258", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832258, "molecule_chembl_id": "CHEMBL1326499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-59230A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827561", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACHLORPYRIDAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827561, "molecule_chembl_id": "CHEMBL1443577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.73", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfachloropyridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.005744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832270", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832270, "molecule_chembl_id": "CHEMBL1331443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,4-DCPG-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827457", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827457, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole Vetranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832165", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832165, "molecule_chembl_id": "CHEMBL1236095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "676.74", "alogp": "5.82", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NMS-P715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832168", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832168, "molecule_chembl_id": "CHEMBL1236315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.09", "alogp": "-2.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TARTARIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORANTEL CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832184, "molecule_chembl_id": "CHEMBL1330312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.46", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MORANTEL CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1/C=C/C1=NCCCN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARDIOGENOL C", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832186, "molecule_chembl_id": "CHEMBL1241078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.30", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARDIOGENOL-C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2nccc(NCCO)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830910", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLTESTOSTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830910, "molecule_chembl_id": "CHEMBL1395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "17-ALPHA-METHYLTESTOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838781", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838781, "molecule_chembl_id": "CHEMBL1624459", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBeQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838824", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "6.00", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838824, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1000.0", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "2.22", "sei": "12.40", "bei": "17.86", "le": "0.36"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827461", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMEPRAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827461, "molecule_chembl_id": "CHEMBL1503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Omeprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.249", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827631", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEBUTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827631, "molecule_chembl_id": "CHEMBL1200813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.89", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acebutolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827632", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TODRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827632, "molecule_chembl_id": "CHEMBL1318529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.70", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Todralazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.005099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1nncc2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832344", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832344, "molecule_chembl_id": "CHEMBL1401324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.42", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-554"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833947", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833947, "molecule_chembl_id": "CHEMBL3039124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "LANATOSIDE C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "63.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832358", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHAPYRILENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832358, "molecule_chembl_id": "CHEMBL1255739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.86", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHAPYRILENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1cccs1)c1ccccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830758", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830758, "molecule_chembl_id": "CHEMBL366563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "-0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-CYSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "44.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CSSCC(N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835466", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVANAFIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835466, "molecule_chembl_id": "CHEMBL1963681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.96", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Avanafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C/N=c2\\[nH]c(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830553", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830553, "molecule_chembl_id": "CHEMBL125569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.44", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMY-45778"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835262", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPOPROSTENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835262, "molecule_chembl_id": "CHEMBL1139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.47", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Epoprostenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\\CCCC(=O)O)C[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835633", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL CYPIONATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835633, "molecule_chembl_id": "CHEMBL1200973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "estradiol-cypionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835331", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROTERENOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835331, "molecule_chembl_id": "CHEMBL434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isoprenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832240", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832240, "molecule_chembl_id": "CHEMBL1314130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.58", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DHBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827617", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICLOPIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827617, "molecule_chembl_id": "CHEMBL1717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.25", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ticlopidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4552", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830075", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALRESTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830075, "molecule_chembl_id": "CHEMBL63055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALRESTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834779", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "11.48 \u00b1 9.83", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834779, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11480.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835007", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINCHOPHEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835007, "molecule_chembl_id": "CHEMBL348000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cinchophen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccccc2)nc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835850", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCILLAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835850, "molecule_chembl_id": "CHEMBL80830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.32", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "bucillamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1477", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(S)C(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836126", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MINAPRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836126, "molecule_chembl_id": "CHEMBL278819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Minaprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06763", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836127", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRTAZAPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836127, "molecule_chembl_id": "CHEMBL654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mirtazapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3C2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831256", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-NADOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831256, "molecule_chembl_id": "CHEMBL400326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NADOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836135", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORINIDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836135, "molecule_chembl_id": "CHEMBL3884248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.29", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "morinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834278", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834278, "molecule_chembl_id": "CHEMBL4303198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.35", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-RAS(G12C) INHIBITOR 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCS)NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835010", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMODIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835010, "molecule_chembl_id": "CHEMBL1428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.45", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nimodipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09541", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GONADORELIN ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830159, "molecule_chembl_id": "CHEMBL1200511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1242.36", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "GONADORELIN (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834490", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834490, "molecule_chembl_id": "CHEMBL4303268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.69", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PATUPILONE (EPO906, EPOTHILONE B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838883", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838883, "molecule_chembl_id": "CHEMBL4226570", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "1002.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9857", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832921", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERFLUAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832921, "molecule_chembl_id": "CHEMBL2104877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.06", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PERFLUOROTRIPROPYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833032", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERNAKALANT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833032, "molecule_chembl_id": "CHEMBL2107383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.93", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VERNAKALANT (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828223", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828223, "molecule_chembl_id": "CHEMBL1404407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.01", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lomerizine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5634", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834239", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834239, "molecule_chembl_id": "CHEMBL4303235", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.25", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCMI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=CNc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827207", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": "OSAJIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827207, "molecule_chembl_id": "CHEMBL238188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Osajin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831269", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXIMONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831269, "molecule_chembl_id": "CHEMBL249856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENOXIMONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831285", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831285, "molecule_chembl_id": "CHEMBL254381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-74654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831267", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXFENFLURAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831267, "molecule_chembl_id": "CHEMBL1887891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.72", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXFENFLURAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPTAPIRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832912, "molecule_chembl_id": "CHEMBL2104230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.41", "alogp": "-0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPTAPIRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cnn(CCCCN2CCN(c3ncccn3)CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828595", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRETAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828595, "molecule_chembl_id": "CHEMBL1455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Altretamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827423", "_score": 6.4079394, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827423, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1100000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831003", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1152-HQPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831003, "molecule_chembl_id": "CHEMBL215152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.57", "alogp": "3.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BARASERTIB (AZD1152-HQPA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833789", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOSAPRIDE CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833789, "molecule_chembl_id": "CHEMBL1733174", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.02", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOSAPRIDE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828326", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828326, "molecule_chembl_id": "CHEMBL1448044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.45", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxolamine citrate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8737", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835961", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIZOLAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835961, "molecule_chembl_id": "CHEMBL1289779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.86", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etizolam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830895", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830895, "molecule_chembl_id": "CHEMBL371315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.30", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROFINETIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835905", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENESTROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835905, "molecule_chembl_id": "CHEMBL1018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dienestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02745", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829217", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829217, "molecule_chembl_id": "CHEMBL269671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTEMISININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834031", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDETOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834031, "molecule_chembl_id": "CHEMBL1573178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.42", "alogp": "-0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829334", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIARAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829334, "molecule_chembl_id": "CHEMBL274239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.85", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIARAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830331", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830331, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIDOFLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829401", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829401, "molecule_chembl_id": "CHEMBL17329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ERBSTATIN-ANALOG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cc(O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833654", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENICILLIN DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833654, "molecule_chembl_id": "CHEMBL606260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.37", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBENICILLIN DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829767", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-PROXYPHYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829767, "molecule_chembl_id": "CHEMBL37019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.25", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROXYPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833661", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOCTIC ACID AMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833661, "molecule_chembl_id": "CHEMBL1403899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIPOAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829081", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANABENZ ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829081, "molecule_chembl_id": "CHEMBL1200560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.14", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANABENZ ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833684", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUAMINOHEPTANE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833684, "molecule_chembl_id": "CHEMBL3560769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.52", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUAMINOHEPTANE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(C)N.CCCCCC(C)N.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829037", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829037, "molecule_chembl_id": "CHEMBL1558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.87", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829456", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829456, "molecule_chembl_id": "CHEMBL427947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1255.44", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ACTINOMYCIN D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832473", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832473, "molecule_chembl_id": "CHEMBL1526242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METERGOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "69.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)CC21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828058", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828058, "molecule_chembl_id": "CHEMBL1475191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Deptropine citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833059", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENELIGLIPTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833059, "molecule_chembl_id": "CHEMBL2147777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TENELIGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832765", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTIRACICLIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832765, "molecule_chembl_id": "CHEMBL1944698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.47", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SB1317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832773", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SGI-1776", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832773, "molecule_chembl_id": "CHEMBL1952329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGI-1776 FREE BASE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832578", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832578, "molecule_chembl_id": "CHEMBL1551336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.14", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGH2466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827877", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827877, "molecule_chembl_id": "CHEMBL1324326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "841.07", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mebhydroline 1,5-naphtalenedisulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828367", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDOCROMIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828367, "molecule_chembl_id": "CHEMBL746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.35", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nedocromil sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828085", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINETHAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828085, "molecule_chembl_id": "CHEMBL1532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.74", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinethazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1774", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828086", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPANOIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828086, "molecule_chembl_id": "CHEMBL867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.93", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Iopanoic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828270", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDRYSONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828270, "molecule_chembl_id": "CHEMBL1201173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Medrysone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829214", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYFLUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829214, "molecule_chembl_id": "CHEMBL491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-HYDROXYFLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827985", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL-L-LEUCINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827985, "molecule_chembl_id": "CHEMBL56021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetyl-L-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(C)C)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833159, "molecule_chembl_id": "CHEMBL2374961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SOBREPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC[C@@H](C(C)(C)O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835244", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835244, "molecule_chembl_id": "CHEMBL4303330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03523", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCc1c[nH]c2ccccc12)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832700", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832700, "molecule_chembl_id": "CHEMBL1807053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.41", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NGD-98-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834088", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRAFINIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834088, "molecule_chembl_id": "CHEMBL93077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.36", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADRAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832865", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSTAFUROXIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832865, "molecule_chembl_id": "CHEMBL2068971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ROSTAFUROXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828166", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIFONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828166, "molecule_chembl_id": "CHEMBL277535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bifonazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832872", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832872, "molecule_chembl_id": "CHEMBL2079588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.83", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TELATINIB (BAY 57-9352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832893", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFAMIDIS", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832893, "molecule_chembl_id": "CHEMBL2103837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.12", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAFAMIDIS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832792", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESAPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832792, "molecule_chembl_id": "CHEMBL1983100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.34", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ESAPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCNCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829017", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829017, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828201", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NATEGLINIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828201, "molecule_chembl_id": "CHEMBL783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nateglinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7846", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834104", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMOTRIZINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834104, "molecule_chembl_id": "CHEMBL2104956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.83", "alogp": "9.48", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "BEMOTRIZINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832455", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRACENE-9-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832455, "molecule_chembl_id": "CHEMBL1513985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "9-ANTHRACENECARBOXYLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c2ccccc2cc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832456", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832456, "molecule_chembl_id": "CHEMBL1514181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.24", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-1643"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832464", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECADOTRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832464, "molecule_chembl_id": "CHEMBL1516410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.49", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RACECADOTRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827760", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827760, "molecule_chembl_id": "CHEMBL4303446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.49", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fludrocortisone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834122", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROLOFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834122, "molecule_chembl_id": "CHEMBL52333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "KW-3902"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828957", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AURANOFIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828957, "molecule_chembl_id": "CHEMBL1366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "678.49", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829075", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829075, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICHLORPHENAMIDE (DICLOFENAMIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833665", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833665, "molecule_chembl_id": "CHEMBL434063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.58", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-1929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833779", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833779, "molecule_chembl_id": "CHEMBL2021342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "0.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TETRAHYDROFOLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828759", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMETHASONE PIVALATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828759, "molecule_chembl_id": "CHEMBL1200877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.58", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flumethasone pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7756", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830554", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOLIQUIRITIGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830554, "molecule_chembl_id": "CHEMBL129795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOLIQUIRITIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835260", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTECAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835260, "molecule_chembl_id": "CHEMBL713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entecavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1346", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835644", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBENDAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835644, "molecule_chembl_id": "CHEMBL37161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenbendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835646", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FESOTERODINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835646, "molecule_chembl_id": "CHEMBL1201764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.59", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fesoterodine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832299", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832299, "molecule_chembl_id": "CHEMBL1357941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.56", "alogp": "5.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MRS1334"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1C#Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827596", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHYNODREL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827596, "molecule_chembl_id": "CHEMBL1387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norethynodrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5082", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827610", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827610, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832325", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832325, "molecule_chembl_id": "CHEMBL1382901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.35", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARDIONOGEN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827591", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827591, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827648", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827648, "molecule_chembl_id": "CHEMBL544428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mianserine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.175", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827650", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXAPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827650, "molecule_chembl_id": "CHEMBL1113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amoxapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832359", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832359, "molecule_chembl_id": "CHEMBL1412853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828071", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828071, "molecule_chembl_id": "CHEMBL1200757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "732.68", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Pancuronium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06422", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832779", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832779, "molecule_chembl_id": "CHEMBL1963131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB 3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827533", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEFYLLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827533, "molecule_chembl_id": "CHEMBL70246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "-1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acefylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.00104", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828420", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAQUINOXALINE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828420, "molecule_chembl_id": "CHEMBL1527324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.33", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfaquinoxaline sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.000446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827967", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827967, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Papaverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829359", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829359, "molecule_chembl_id": "CHEMBL15927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.48", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OLEAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830337", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIPERIDEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830337, "molecule_chembl_id": "CHEMBL1201035", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.93", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BIPERIDEN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828093", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENSUXIMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828093, "molecule_chembl_id": "CHEMBL797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phensuximide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CC(c2ccccc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829221", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "9-AMINOCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829221, "molecule_chembl_id": "CHEMBL274070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.37", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "9-AMINOCAMPTOTHECIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827989", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYMECROMONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827989, "molecule_chembl_id": "CHEMBL12208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.17", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Hymecromone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(O)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828152", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOPATADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828152, "molecule_chembl_id": "CHEMBL1719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.88", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olopatadine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828153", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAMOTRIGINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828153, "molecule_chembl_id": "CHEMBL741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.10", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lamotrigine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833436", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833436, "molecule_chembl_id": "CHEMBL3577124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.52", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY3009120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828161", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATORVASTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828161, "molecule_chembl_id": "CHEMBL1487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.65", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Atorvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4377", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833441", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833441, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832892", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARDOPRUNOX HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832892, "molecule_chembl_id": "CHEMBL2105649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.73", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARDOPRUNOX (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc3[nH]c(=O)oc23)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828190", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828190, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Enrofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832479", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832479, "molecule_chembl_id": "CHEMBL1530428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXAMETHASONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832486", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832486, "molecule_chembl_id": "CHEMBL1550905", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMZ30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832076", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRICICLIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832076, "molecule_chembl_id": "CHEMBL1206245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.42", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BRICICLIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832494", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832494, "molecule_chembl_id": "CHEMBL1553629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.96", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ORG 27569"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827792", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOPERAZONE DIHYDRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827792, "molecule_chembl_id": "CHEMBL1697715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "681.71", "alogp": "-1.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefoperazone dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2339", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828063", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISRADIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828063, "molecule_chembl_id": "CHEMBL1648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isradipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4015", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828065", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828065, "molecule_chembl_id": "CHEMBL4303692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.65", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isometheptene mucate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)C(O)C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827659", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827659, "molecule_chembl_id": "CHEMBL1317747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.43", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Picotamide monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.002446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834052", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834052, "molecule_chembl_id": "CHEMBL2164371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAV-26"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(OC(F)(F)F)cc1)C1c2ccccc2C(=O)N1C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834472", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLSIDOMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834472, "molecule_chembl_id": "CHEMBL1329455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.24", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOLSIDOMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834477", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834477, "molecule_chembl_id": "CHEMBL4303459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SSR128129E (SSR)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)n2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832976", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832976, "molecule_chembl_id": "CHEMBL3188434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.40", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMEMORFAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829101, "molecule_chembl_id": "CHEMBL33", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LVX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829107", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829107, "molecule_chembl_id": "CHEMBL1551988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "760.79", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOTREMORINE SESQUIFUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C1CCCN1CC#CCN1CCCC1.O=C1CCCN1CC#CCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833465", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITACITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833465, "molecule_chembl_id": "CHEMBL3622820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.52", "alogp": "3.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ITACITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829434", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAZABEMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829434, "molecule_chembl_id": "CHEMBL2105029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.10", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LAZABEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCNC(=O)c1ccc(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829339", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPATINIB DITOSYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829339, "molecule_chembl_id": "CHEMBL1201179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "943.49", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LAPATINIB (GW-572016) DITOSYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834149", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXABEPILONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834149, "molecule_chembl_id": "CHEMBL1201752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.71", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IXABEPILONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834043", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834043, "molecule_chembl_id": "CHEMBL573107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-D1870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833935", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833935, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "RIFAXIMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832042", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOTHALAMIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832042, "molecule_chembl_id": "CHEMBL1201300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.91", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IOTHALAMIC ACID-D3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833393", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833393, "molecule_chembl_id": "CHEMBL3421968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831555", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831555, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEPHARANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827328", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.50", "bao_label": "organism-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827328, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3160.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831568", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTISONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831568, "molecule_chembl_id": "CHEMBL1650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831155", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM PHENYLBUTYRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831155, "molecule_chembl_id": "CHEMBL1746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.19", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM PHENYLBUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCCc1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830953", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830953, "molecule_chembl_id": "CHEMBL205596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831645", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICARITIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831645, "molecule_chembl_id": "CHEMBL498485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ICARITIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831727", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN ETEXILATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831727, "molecule_chembl_id": "CHEMBL539697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.75", "alogp": "5.60", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BIBR-1048 (DABIGATRAN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)/N=C(\\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831464", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHAPIRIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831464, "molecule_chembl_id": "CHEMBL1201043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.45", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEPHAPIRIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831588", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831588, "molecule_chembl_id": "CHEMBL495575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.49", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY 316606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NC1CCNCC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836057", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UFENAMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836057, "molecule_chembl_id": "CHEMBL2105605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ufenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06382", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830933", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830933, "molecule_chembl_id": "CHEMBL1563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.99", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DAUNORUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831441", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOXAZOLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831441, "molecule_chembl_id": "CHEMBL472566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.58", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOXAZOLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(Cl)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836573", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.272786686,0.095822155)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836573, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836577", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.254418968,0.130061298)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836577, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oseltamivir-carboxylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1922", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARTHENOLIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831624, "molecule_chembl_id": "CHEMBL540445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PARTHENOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831709", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831709, "molecule_chembl_id": "CHEMBL561533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-25"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827311", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "QUINACRINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827311, "molecule_chembl_id": "CHEMBL7568", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "399.97", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Quinacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836424", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836424, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralatrexate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831826", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831826, "molecule_chembl_id": "CHEMBL601661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.61", "alogp": "3.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-125132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836051", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMETOZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836051, "molecule_chembl_id": "CHEMBL1697853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trimetozine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2022", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831715", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDROERGOTAMINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831715, "molecule_chembl_id": "CHEMBL1200517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.80", "alogp": "2.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DIHYDROERGOTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838667", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838667, "molecule_chembl_id": "CHEMBL254578", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "451.29", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4EGI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "263.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836518", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.294077776,0.219726714)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYL FUMARATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836518, "molecule_chembl_id": "CHEMBL2107333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.13", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dimethyl fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2569", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838675", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABBV-744", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838675, "molecule_chembl_id": "CHEMBL4297454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.56", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ABBV-744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3467368.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838752", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838752, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.18", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838673", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ABBV-744", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838673, "molecule_chembl_id": "CHEMBL4297454", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "491.56", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ABBV-744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "160.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836334", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.060926166,0.043225545)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836334, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832002", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFORANIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832002, "molecule_chembl_id": "CHEMBL1201046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "-0.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFORANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836456", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.248546218,0.002582247)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836456, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oseltamivir-carboxylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1256", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835926", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROPERIDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835926, "molecule_chembl_id": "CHEMBL1108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.44", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Droperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1717", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838865", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838865, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "305.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831816", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831816, "molecule_chembl_id": "CHEMBL2106126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.01", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DELAPRIL HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830907", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRONOLACTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830907, "molecule_chembl_id": "CHEMBL1393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPIRONOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827200", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANATOSIDE C", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827200, "molecule_chembl_id": "CHEMBL506569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "985.13", "alogp": "0.61", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Lanotoside C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835929", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835929, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1539", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831058", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIOFUR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831058, "molecule_chembl_id": "CHEMBL2106486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.04", "alogp": "0.98", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFTIOFUR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838758", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE GOES DOWN TO 75% MAYBE PARTIAL ANTAGONIST", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838758, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Compound 10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.25", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838769", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838769, "molecule_chembl_id": "CHEMBL4125931", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "193.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(N)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838793", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE MAY MAKE IT WORSE?", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DEXTROMETHORPHAN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838793, "molecule_chembl_id": "CHEMBL52440", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "271.40", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dextromethorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.06", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835978", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCRALOSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835978, "molecule_chembl_id": "CHEMBL2107529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "sucralose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831047", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINIFANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831047, "molecule_chembl_id": "CHEMBL223360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.41", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LINIFANIB (ABT-869)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838699", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838699, "molecule_chembl_id": "CHEMBL20377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827427", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827427, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Dihydrochloride Dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.31", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831941", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMECLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831941, "molecule_chembl_id": "CHEMBL523299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.50", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "UMECLIDINIUM (BROMIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832142, "molecule_chembl_id": "CHEMBL1232398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "117.15", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-VALINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832153, "molecule_chembl_id": "CHEMBL1234172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRESOPIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827478", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRETINATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827478, "molecule_chembl_id": "CHEMBL464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Etretinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832819", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832819, "molecule_chembl_id": "CHEMBL2018096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "IPRAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831582", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831582, "molecule_chembl_id": "CHEMBL522618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.39", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-S-7005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827382", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827382, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827389", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "GEMCITABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827389, "molecule_chembl_id": "CHEMBL1637", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "299.66", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gemcitabine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23220.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831686", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831686, "molecule_chembl_id": "CHEMBL510038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU3327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832127, "molecule_chembl_id": "CHEMBL3891157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "108.02", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LITHIUM ACETOACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(=O)[O-].[Li+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832675", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832675, "molecule_chembl_id": "CHEMBL1765602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.41", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TORIN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832149", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOLASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832149, "molecule_chembl_id": "CHEMBL1233528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.83", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "BI6727 (VOLASERTIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827436", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827436, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.52", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827439", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827439, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838797", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838797, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-52862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "241.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832158", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832158, "molecule_chembl_id": "CHEMBL1235001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYPHENBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838800", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838800, "molecule_chembl_id": "CHEMBL2170062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-52862"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831852", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIROXOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831852, "molecule_chembl_id": "CHEMBL1078685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TOPIROXOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838802", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838802, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832178", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMIPALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832178, "molecule_chembl_id": "CHEMBL1236962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.51", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OMIPALISIB (GSK2126458, GSK458)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830923", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALICATIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830923, "molecule_chembl_id": "CHEMBL371064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.55", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BALICATIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827707", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDODRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827707, "molecule_chembl_id": "CHEMBL1200461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.75", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Midodrine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827164", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.02", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827164, "molecule_chembl_id": "CHEMBL209569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.94", "alogp": "5.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-2674"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(c2ncc(C(O)CO)cc2Cl)CCN1c1nc2c(-c3cc(F)c(F)c(F)c3)cc(C(F)(F)F)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827709", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMESULIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827709, "molecule_chembl_id": "CHEMBL56367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nimesulide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04878", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838825", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303780", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838825, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity index for SigmaR1/R2 on-target Kd values vs. hERG ion channel", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827361", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "IC50", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827361, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832558", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832558, "molecule_chembl_id": "CHEMBL1324873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.98", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDM25N"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827487", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827487, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tranilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02625", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832199", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASTAXANTHIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832199, "molecule_chembl_id": "CHEMBL1255871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.85", "alogp": "8.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ASTAXANTHIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827507", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTARABINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827507, "molecule_chembl_id": "CHEMBL803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cytarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1033", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832219", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832219, "molecule_chembl_id": "CHEMBL1257423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832221", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832221, "molecule_chembl_id": "CHEMBL1270331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.11", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CAMKII-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832224", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDIRUBIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832224, "molecule_chembl_id": "CHEMBL1276127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INDIRUBIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827522", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETANIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827522, "molecule_chembl_id": "CHEMBL47405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.18", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etanidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCCO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838719", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "HERG", "pchembl_value": "5.50", "bao_label": "cell membrane format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303779", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL240", "activity_id": 18838719, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CQ"}, "assay_data": {"assay_subcellular_fraction": "Cell membranes", "cell_chembl_id": "CHEMBL3307715", "assay_cell_type": "HEK293", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3162.28", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells", "bao_format": "BAO_0000249"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832118", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROCRESOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832118, "molecule_chembl_id": "CHEMBL1230222", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.58", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLOROCRESOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835265", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "E968", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835265, "molecule_chembl_id": "CHEMBL349605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "-2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Erythritol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1573", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830560", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-7777120", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830560, "molecule_chembl_id": "CHEMBL129198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.76", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-7777120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835270", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835270, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethoxzolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835639", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPEMIDIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835639, "molecule_chembl_id": "CHEMBL30116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.32", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pipemidic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2033", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835640", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835640, "molecule_chembl_id": "CHEMBL699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCO)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835341", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBETAXOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835341, "molecule_chembl_id": "CHEMBL1201274", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.43", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levobetaxolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4949", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834940", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACALABRUTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834940, "molecule_chembl_id": "CHEMBL3707348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.52", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acalabrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830424", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACINAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830424, "molecule_chembl_id": "CHEMBL1140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.13", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830430", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830430, "molecule_chembl_id": "CHEMBL110239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.26", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-HYDROXY-PIPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830440", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830440, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRANILAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835517", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835517, "molecule_chembl_id": "CHEMBL1200430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.43", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "\u0152\u2264-Estradiol 17-Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835155", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORSEMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835155, "molecule_chembl_id": "CHEMBL1148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TORSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830450, "molecule_chembl_id": "CHEMBL1152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "59.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830454, "molecule_chembl_id": "CHEMBL2356692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.27", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOLATREXED DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835161", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPROLIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835161, "molecule_chembl_id": "CHEMBL855", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.40", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Triprolidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835347", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835347, "molecule_chembl_id": "CHEMBL561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.35", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lomefloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1087", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835355", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBHYDROLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835355, "molecule_chembl_id": "CHEMBL1625607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mebhydrolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835360", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPHENESIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835360, "molecule_chembl_id": "CHEMBL229128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mephenesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0981", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCC(O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830656", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARATRIPTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830656, "molecule_chembl_id": "CHEMBL1200601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.93", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NARATRIPTAN HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835361", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835361, "molecule_chembl_id": "CHEMBL2011500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.20", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "meptazinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2466", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835527", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORPHENADRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835527, "molecule_chembl_id": "CHEMBL900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "orphenadrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07501", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(OCCN(C)C)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835676", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXOPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835676, "molecule_chembl_id": "CHEMBL19299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Loxoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02648", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835769", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESERPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835769, "molecule_chembl_id": "CHEMBL772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.69", "alogp": "4.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Reserpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08143", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835826", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL-L-LEUCINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835826, "molecule_chembl_id": "CHEMBL56021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acetyl-l-leucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(C)C)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830842", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830842, "molecule_chembl_id": "CHEMBL365141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.61", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "U-18666A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835546", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLIN V", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835546, "molecule_chembl_id": "CHEMBL615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Penicillin V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.002553", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTESUNATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830844, "molecule_chembl_id": "CHEMBL361497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.43", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARTESUNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835794", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECALCIFEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835794, "molecule_chembl_id": "CHEMBL1590076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "secalciferol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3632", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835806", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIPERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835806, "molecule_chembl_id": "CHEMBL267930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.48", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Spiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05718", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835812", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILAZODONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835812, "molecule_chembl_id": "CHEMBL439849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vilazodone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835545", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENBUTOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835545, "molecule_chembl_id": "CHEMBL1290", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "penbutolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4905", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835782", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPIVACAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835782, "molecule_chembl_id": "CHEMBL1077896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.41", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropivacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03443", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835714", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835714, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bosentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835749", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROXYPHYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835749, "molecule_chembl_id": "CHEMBL37390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.25", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "proxyphylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835754", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835754, "molecule_chembl_id": "CHEMBL1592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quinapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835758", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835758, "molecule_chembl_id": "CHEMBL1514181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.24", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-(-)-Apomorphine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.158", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835828", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBUTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835828, "molecule_chembl_id": "CHEMBL714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALBUTAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2997", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835837", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APALUTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835837, "molecule_chembl_id": "CHEMBL3183409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARN-509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1472", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830220", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHOLECALCIFEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830220, "molecule_chembl_id": "CHEMBL1042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.65", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHOLECALCIFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-32.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830224", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPSONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830224, "molecule_chembl_id": "CHEMBL1043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830225", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VICRIVIROC MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830225, "molecule_chembl_id": "CHEMBL2107384", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.71", "alogp": "4.50", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "VICRIVIROC (MALEATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830468", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMETASONE FUROATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830468, "molecule_chembl_id": "CHEMBL1161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.44", "alogp": "4.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MOMETASONE FUROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835554", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENTOLAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835554, "molecule_chembl_id": "CHEMBL597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.36", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phentolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06841", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835675", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOSARTAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835675, "molecule_chembl_id": "CHEMBL191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.92", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Losartan DuP-753"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0016", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830322", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830322, "molecule_chembl_id": "CHEMBL1256322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-57227A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC1CCN(c2cccc(Cl)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835043", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.169785191,0.095988257)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENCICLOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835043, "molecule_chembl_id": "CHEMBL1540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Penciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1329", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830226", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMMETHRIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830226, "molecule_chembl_id": "CHEMBL82298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.19", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMMETHRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(Cc2cnc[nH]2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834936", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERCAPTOPURINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834936, "molecule_chembl_id": "CHEMBL1425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.18", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6-Mercaptopurine (6-MP)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834946", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834946, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Actarit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2693", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830843, "molecule_chembl_id": "CHEMBL521582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.98", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NE-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830804", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAGNOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830804, "molecule_chembl_id": "CHEMBL180920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MAGNOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835552", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLSULFONPHTHALEIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835552, "molecule_chembl_id": "CHEMBL258921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.38", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenolsulfonphthalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835513", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELEXIPAG", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835513, "molecule_chembl_id": "CHEMBL238804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.63", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NS-304"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0592", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835514", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBIDOXIME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835514, "molecule_chembl_id": "CHEMBL451635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.31", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "obidoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835165", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URAPIDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835165, "molecule_chembl_id": "CHEMBL279229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.48", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Urapidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830465", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BORTEZOMIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830465, "molecule_chembl_id": "CHEMBL325041", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "BORTEZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830635", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITRIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830635, "molecule_chembl_id": "CHEMBL1261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.12", "alogp": "-1.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CITRIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835679", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXANOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835679, "molecule_chembl_id": "CHEMBL207538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.50", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mecamylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1505", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835681", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPIVACAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835681, "molecule_chembl_id": "CHEMBL1087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mepivacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C1CCCCN1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835725", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENZEPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835725, "molecule_chembl_id": "CHEMBL9967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.41", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pirenzepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835655", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSFOSAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835655, "molecule_chembl_id": "CHEMBL287275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.10", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fosfosal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1OP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835697", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDAZAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835697, "molecule_chembl_id": "CHEMBL1089221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bendazac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1415", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1nn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835710", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIMATOPROST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835710, "molecule_chembl_id": "CHEMBL1200963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bimatoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830856", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830856, "molecule_chembl_id": "CHEMBL365617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.82", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-49009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835842", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BACAMPICILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835842, "molecule_chembl_id": "CHEMBL1583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.53", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bacampicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835821", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835821, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Zanamivir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0708", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835740", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMAQUINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835740, "molecule_chembl_id": "CHEMBL506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "primaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(C)CCCN)c2ncccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835499", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835499, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835727", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROXICAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835727, "molecule_chembl_id": "CHEMBL527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piroxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07142", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830726", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPLOSALSALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830726, "molecule_chembl_id": "CHEMBL350343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYLSALICYLSALICYLIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835745", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPRANOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835745, "molecule_chembl_id": "CHEMBL27", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "propranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3664", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830796", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOCREATINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830796, "molecule_chembl_id": "CHEMBL179900", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.15", "alogp": "-1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOCREATINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCCN1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830686", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEDAPSONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830686, "molecule_chembl_id": "CHEMBL154166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.38", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEDAPSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835141", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835141, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2497", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830437", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAGOMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830437, "molecule_chembl_id": "CHEMBL108084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FAGOMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NCC[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830439", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830439, "molecule_chembl_id": "CHEMBL108821", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.82", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SITAFLOXACIN HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830808", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLAMINE TRIETHIODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830808, "molecule_chembl_id": "CHEMBL1200993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "891.54", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GALLAMINE TRIETHIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830849", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830849, "molecule_chembl_id": "CHEMBL363211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.40", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835555", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLEPHRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835555, "molecule_chembl_id": "CHEMBL1215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenylephrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)c1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830854", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830854, "molecule_chembl_id": "CHEMBL190270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CDPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830819", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830819, "molecule_chembl_id": "CHEMBL1403509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.82", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-10191584"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835839", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATORVASTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835839, "molecule_chembl_id": "CHEMBL1487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.65", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Atorvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830320", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830320, "molecule_chembl_id": "CHEMBL93655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.41", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPL-64176"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835503", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINEPAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835503, "molecule_chembl_id": "CHEMBL1874750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cinepazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05308", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827180", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827180, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832058", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMETHASONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832058, "molecule_chembl_id": "CHEMBL1201392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828146", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLADRIBINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828146, "molecule_chembl_id": "CHEMBL1619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.69", "alogp": "-0.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cladribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835073", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAGOLIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835073, "molecule_chembl_id": "CHEMBL2218861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.57", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "quinagolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09123", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828208", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828208, "molecule_chembl_id": "CHEMBL4303650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Adapalene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5057", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832913", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXALDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832913, "molecule_chembl_id": "CHEMBL2104247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.09", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BROXALDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828322", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NADOLOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828322, "molecule_chembl_id": "CHEMBL649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nadolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827962", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827962, "molecule_chembl_id": "CHEMBL1574179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.19", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dacarbazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)N=Nc1[nH]cnc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833051", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833051, "molecule_chembl_id": "CHEMBL2141887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.30", "alogp": "5.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LIMKI-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830709", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830709, "molecule_chembl_id": "CHEMBL160723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.38", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NIDA-41020"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833928", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLEMANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833928, "molecule_chembl_id": "CHEMBL18972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.43", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-11939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833951", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACENOCOUMAROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833951, "molecule_chembl_id": "CHEMBL397420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.33", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACENOCOUMARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832838", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832838, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CICLESONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATOVAQUONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833683, "molecule_chembl_id": "CHEMBL1450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.84", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ATOVAQUONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833147", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833147, "molecule_chembl_id": "CHEMBL2348501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.82", "alogp": "4.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-657510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832843, "molecule_chembl_id": "CHEMBL2047521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.64", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-069673"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnc(Cl)nc1)c1ccc(F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835871", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROTAMITON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835871, "molecule_chembl_id": "CHEMBL1200709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.28", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Crotamiton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C(=O)N(CC)c1ccccc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839057", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839057, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALPROIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.167", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829582", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829582, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VANDETANIB (ZD6474)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "51.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830396", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830396, "molecule_chembl_id": "CHEMBL103469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX-516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833880", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833880, "molecule_chembl_id": "CHEMBL4303477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.47", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYLSCOPOLAMINE BROMIDE (SCOPOLAMINE BUTYLB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833881", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANOCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833881, "molecule_chembl_id": "CHEMBL1555126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.84", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LANOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829485", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYCANTHONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829485, "molecule_chembl_id": "CHEMBL22077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.49", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYCANTHONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834186, "molecule_chembl_id": "CHEMBL4303316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAMI-633"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829487", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOXIFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829487, "molecule_chembl_id": "CHEMBL628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOXIFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834188", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834188, "molecule_chembl_id": "CHEMBL261237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.35", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEK1-2-INHIBITOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834191", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834191, "molecule_chembl_id": "CHEMBL4303573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.35", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISRIB (TRANS-ISOMER)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829492", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829492, "molecule_chembl_id": "CHEMBL1083993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "681.78", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AMIODARONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834202", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834202, "molecule_chembl_id": "CHEMBL513599", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.30", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-K-8644-(S)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834205", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROTAVERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834205, "molecule_chembl_id": "CHEMBL551978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROTAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830008", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830008, "molecule_chembl_id": "CHEMBL930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-GLUTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833774", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGNENOLONE SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833774, "molecule_chembl_id": "CHEMBL2105373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.56", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PREGNENOLONE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834723", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "17.39 \u00b1 0.16", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.76", "bao_label": "organism-based format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834723, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIDOFLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17390.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831895", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSPODAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831895, "molecule_chembl_id": "CHEMBL1086218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1214.65", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "VALSPODAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827865", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIANDROSTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827865, "molecule_chembl_id": "CHEMBL272195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Epiandrosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.075", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827867", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827867, "molecule_chembl_id": "CHEMBL3183114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.25", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clobutinol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2872", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833062", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833062, "molecule_chembl_id": "CHEMBL2152944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.43", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKEPINONE-L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "86.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC[C@H](O)CO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829605", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOANTIPYRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829605, "molecule_chembl_id": "CHEMBL24132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.13", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IODOANTIPYRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(I)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833122", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833122, "molecule_chembl_id": "CHEMBL2316582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GZD824 DIMESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]ncc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833942", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833942, "molecule_chembl_id": "CHEMBL95121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY266097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "62.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833668", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MISONIDAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833668, "molecule_chembl_id": "CHEMBL42161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MISONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(O)Cn1ccnc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828970", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOGUISTEINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828970, "molecule_chembl_id": "CHEMBL146980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.41", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moguisteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833471", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833471, "molecule_chembl_id": "CHEMBL3633893", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.39", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-O-9311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829563", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829563, "molecule_chembl_id": "CHEMBL1255654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838895", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "PARITAL/INCONCLUSIVE PARTIAL INHIBITION, INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838895, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "202.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828145", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828145, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Candesartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.166", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829350", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPACHONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829350, "molecule_chembl_id": "CHEMBL15192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Beta-LAPACHONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834263", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVANS BLUE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834263, "molecule_chembl_id": "CHEMBL1200712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "960.82", "alogp": "6.67", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "EVANS BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-32.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834023", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834023, "molecule_chembl_id": "CHEMBL3303800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.41", "alogp": "6.42", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CLINDAMYCIN PALMITATE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827866", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827866, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Estradiol-17 beta"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3797", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834095", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834095, "molecule_chembl_id": "CHEMBL1200538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAMETHASONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832923", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTRAZURIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832923, "molecule_chembl_id": "CHEMBL2104931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.39", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toltrazuril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829535", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFIBRIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829535, "molecule_chembl_id": "CHEMBL683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.65", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOFIBRIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835111", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXISULIND", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835111, "molecule_chembl_id": "CHEMBL488025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Sulindac sulfone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830241", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830241, "molecule_chembl_id": "CHEMBL81099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.32", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-616U"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831213", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFLUOREX HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831213, "molecule_chembl_id": "CHEMBL1412305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.83", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFLUOREX HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836087", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORNOXICAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836087, "molecule_chembl_id": "CHEMBL1569487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.83", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lornoxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1815", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831218", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENYLPYRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831218, "molecule_chembl_id": "CHEMBL1564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.86", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENYLPYRALINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830670", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830670, "molecule_chembl_id": "CHEMBL1514634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.57", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMBROXOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835107", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPYRIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835107, "molecule_chembl_id": "CHEMBL700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.30", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sulfapyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1383", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834960", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGRELIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834960, "molecule_chembl_id": "CHEMBL760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.09", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "anagrelide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1678", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835378", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOSAPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835378, "molecule_chembl_id": "CHEMBL60889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.90", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mosapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2146", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836097", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBEVERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836097, "molecule_chembl_id": "CHEMBL282121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.56", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mebeverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829141", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLINDOKALNER", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829141, "molecule_chembl_id": "CHEMBL266510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.71", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FLINDOKALNER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833852", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833852, "molecule_chembl_id": "CHEMBL557555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.16", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIPROFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836068", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEDIPASVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836068, "molecule_chembl_id": "CHEMBL2374220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "889.02", "alogp": "8.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ledipasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZUFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831174, "molecule_chembl_id": "CHEMBL240163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.30", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PAZUFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830764", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830764, "molecule_chembl_id": "CHEMBL367788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.14", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIDOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835468", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835468, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZD9291"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833025", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833025, "molecule_chembl_id": "CHEMBL2106574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.88", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPOXETINE HYDROCHLORIDE (PRILIGY)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "65.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828331", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOXITIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828331, "molecule_chembl_id": "CHEMBL1200530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.44", "alogp": "0.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefoxitin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829529", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFACLOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829529, "molecule_chembl_id": "CHEMBL680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.81", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cefaclor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830889", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830889, "molecule_chembl_id": "CHEMBL383144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.27", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-METHYLADENOSINE (M6A)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830875", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RWJ-67657", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830875, "molecule_chembl_id": "CHEMBL190333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RWJ-67657"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831090", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831090, "molecule_chembl_id": "CHEMBL226335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.52", "alogp": "-1.69", "num_ro5_violations": 3, "max_phase": 2, "compound_key": "RUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838893", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838893, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39810.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833751", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833751, "molecule_chembl_id": "CHEMBL4303712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.44", "alogp": "-7.57", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "4-GALACTOSYLLACTOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829060", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAZEPAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829060, "molecule_chembl_id": "CHEMBL12", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.75", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836026", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPRANAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836026, "molecule_chembl_id": "CHEMBL222559", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.68", "alogp": "7.33", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "tipranavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04844", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828960", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828960, "molecule_chembl_id": "CHEMBL1708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.83", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Paroxetine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832605", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMDINOCILLIN PIVOXIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832605, "molecule_chembl_id": "CHEMBL1650818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIVMECILLINAM (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832441", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832441, "molecule_chembl_id": "CHEMBL1874337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.66", "alogp": "-1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOROXYDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)/N=C(\\N)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828127", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZAPERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828127, "molecule_chembl_id": "CHEMBL340211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6959", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834262", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834262, "molecule_chembl_id": "CHEMBL4303572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.18", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-3623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nnn[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832841", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLASDEGIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832841, "molecule_chembl_id": "CHEMBL2043437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLASDEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833986", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833986, "molecule_chembl_id": "CHEMBL1200809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.37", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELASTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836363", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFENOQUINE SUCCINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836363, "molecule_chembl_id": "CHEMBL2364635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.59", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tafenoquine succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828290", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TINIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828290, "molecule_chembl_id": "CHEMBL1220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.28", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TINIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832553", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832553, "molecule_chembl_id": "CHEMBL1615585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.28", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-AMINOCEPHALOSPORANIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828102", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDUREA", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828102, "molecule_chembl_id": "CHEMBL65433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.30", "alogp": "-4.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Imidurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7579", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828262", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828262, "molecule_chembl_id": "CHEMBL3184321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.73", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pantethine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835181", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFLOQUALONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835181, "molecule_chembl_id": "CHEMBL2105918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.31", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Afloqualone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833859", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833859, "molecule_chembl_id": "CHEMBL3039447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.58", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMETHAZONE PIVALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835187", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRINDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835187, "molecule_chembl_id": "CHEMBL2104501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.96", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aprindine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REVAPRAZAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833866, "molecule_chembl_id": "CHEMBL1257753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.91", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "REVAPRAZAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835191", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALOFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835191, "molecule_chembl_id": "CHEMBL1210954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "balofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2575", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829178", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RU-58841", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829178, "molecule_chembl_id": "CHEMBL9337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 58841"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830374", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOYOCAMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830374, "molecule_chembl_id": "CHEMBL99668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.27", "alogp": "-1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOYOCAMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834241", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834241, "molecule_chembl_id": "CHEMBL4303253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.00", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-887826"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(-c2cncc(C(=O)NCc3cccnc3N3CCOCC3)c2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829461", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829461, "molecule_chembl_id": "CHEMBL20377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.26", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830703", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830703, "molecule_chembl_id": "CHEMBL155358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.87", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-51089"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830711", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROPAPAVERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830711, "molecule_chembl_id": "CHEMBL160919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAHYDROPAPAVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838683", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "7.02", "bao_label": "single protein format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838683, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.0", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "ligand_efficiency": {"lle": "1.67", "sei": "16.59", "bei": "15.31", "le": "0.28"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831736", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-650394", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831736, "molecule_chembl_id": "CHEMBL558642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK650394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836086", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORLATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836086, "molecule_chembl_id": "CHEMBL3286830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lorlatinib?(PF-6463922)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2281", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836089", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROTRECTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836089, "molecule_chembl_id": "CHEMBL3889654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOXO-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1325", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836091", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LURASIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836091, "molecule_chembl_id": "CHEMBL1237021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.69", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lurasidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836093", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MABUTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836093, "molecule_chembl_id": "CHEMBL86749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.75", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mabuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830936", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830936, "molecule_chembl_id": "CHEMBL381638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBC-293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nnc2cc(C(=O)O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829180", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATRASENTAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829180, "molecule_chembl_id": "CHEMBL2106068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.09", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ATRASENTAN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833685, "molecule_chembl_id": "CHEMBL3039094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRASTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC(=O)[C@@]4(C)CCC32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830353", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIOTHEPIN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830353, "molecule_chembl_id": "CHEMBL1256737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.67", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METITEPINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830354", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830354, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARIPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828719", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE MONONITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828719, "molecule_chembl_id": "CHEMBL1311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.14", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isosorbide mononitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4835", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828723", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLTRAZURIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828723, "molecule_chembl_id": "CHEMBL2104931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.39", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toltrazuril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834048", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASUGREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834048, "molecule_chembl_id": "CHEMBL1201772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.45", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRASUGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828726", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARBENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828726, "molecule_chembl_id": "CHEMBL528271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Parbendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1248", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829352", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFEROXAMINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829352, "molecule_chembl_id": "CHEMBL1234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "656.80", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DEFEROXAMINE-MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833430", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-690514", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833430, "molecule_chembl_id": "CHEMBL3545396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.44", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-690514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832038", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832038, "molecule_chembl_id": "CHEMBL1200906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.41", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYPHENONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831901", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBETASOL PROPIONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831901, "molecule_chembl_id": "CHEMBL1159650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.98", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOBETASOL-PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834338", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTAROLINE FOSAMIL ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834338, "molecule_chembl_id": "CHEMBL3544973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "762.77", "alogp": "-0.12", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFTAROLINE-FOSAMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834340", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834340, "molecule_chembl_id": "CHEMBL4303710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.38", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-07662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2ccccc2c1CNC(=O)NCc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829644", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXOLINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829644, "molecule_chembl_id": "CHEMBL416755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.23", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOLINIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830388", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830388, "molecule_chembl_id": "CHEMBL332524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.19", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXAMETHONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-36.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832109", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832109, "molecule_chembl_id": "CHEMBL1229535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831743", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOTESANIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831743, "molecule_chembl_id": "CHEMBL572881", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.46", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOTESANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830770", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOMETAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830770, "molecule_chembl_id": "CHEMBL174697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.75", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOMETAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830783", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRABROMOBENZOTRIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830783, "molecule_chembl_id": "CHEMBL177820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.71", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4,5,6,7-TETRABROMOBENZOTRIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(Br)c(Br)c2[nH]nnc2c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835487", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835487, "molecule_chembl_id": "CHEMBL1170377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.53", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cetirizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5516", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834385", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834385, "molecule_chembl_id": "CHEMBL4303245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TICAGRELOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831205", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831205, "molecule_chembl_id": "CHEMBL400402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.98", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG 100572 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836077", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOLEUCOVORIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836077, "molecule_chembl_id": "CHEMBL1908841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.45", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Levoleucovorin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831208", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URACIL MUSTARD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831208, "molecule_chembl_id": "CHEMBL1488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URACIL-MUSTARD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836080", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIMAPROST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836080, "molecule_chembl_id": "CHEMBL2107456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.53", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "limaprost-alfadex"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836083", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEXIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836083, "molecule_chembl_id": "CHEMBL17860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lofexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831212", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLODIPINE BESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831212, "molecule_chembl_id": "CHEMBL1200402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.06", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLODIPINE BESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833090", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04447943", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833090, "molecule_chembl_id": "CHEMBL2179105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04447943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832804", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832804, "molecule_chembl_id": "CHEMBL1997663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.54", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHACIZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828268", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIMATOPROST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828268, "molecule_chembl_id": "CHEMBL1200963", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bimatoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09663", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832443", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832443, "molecule_chembl_id": "CHEMBL1491962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.45", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0240551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832445", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832445, "molecule_chembl_id": "CHEMBL2356801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.50", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHINDENE-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827833", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBUTALINE SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827833, "molecule_chembl_id": "CHEMBL1315867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.66", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Terbutaline hemisulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834502", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834502, "molecule_chembl_id": "CHEMBL4303670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.57", "alogp": "6.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGN 194310"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)O)cc4)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834504", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834504, "molecule_chembl_id": "CHEMBL4303415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "-2.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LM-22A4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833144", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD3514", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833144, "molecule_chembl_id": "CHEMBL2346976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "2.83", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD3514"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827993", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827993, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827845", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTOCONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827845, "molecule_chembl_id": "CHEMBL1200398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.80", "alogp": "6.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Butoconazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1062", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833112", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833112, "molecule_chembl_id": "CHEMBL2203422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.49", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCX 1470 (METHANESULFONATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N=C(N)c1cc2ccc(OC(=O)c3cccs3)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828459", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THALIDOMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828459, "molecule_chembl_id": "CHEMBL468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.23", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827941", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827941, "molecule_chembl_id": "CHEMBL4303472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betahistine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1144", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1ccccn1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833098", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833098, "molecule_chembl_id": "CHEMBL2182052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.50", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838746", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "8.00", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838746, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "2.90", "sei": "64.15", "bei": "23.26", "le": "0.46"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827428", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827428, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.37", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827905", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827905, "molecule_chembl_id": "CHEMBL2359044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.94", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Metixene hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESULERGINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829266, "molecule_chembl_id": "CHEMBL2303628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.96", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MESULERGINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832447", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832447, "molecule_chembl_id": "CHEMBL2354637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXELAIDIN CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834503", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-42165279", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834503, "molecule_chembl_id": "CHEMBL4297294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.81", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-42165279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829136", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN AG-1478", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829136, "molecule_chembl_id": "CHEMBL7917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.76", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1478 (TYRPHOSTIN AG-1478)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833839", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833839, "molecule_chembl_id": "CHEMBL2135651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SALINOMYCIN (PROCOXACIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)O)C1CC[C@H](C)C([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)(C5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833341", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833341, "molecule_chembl_id": "CHEMBL3335794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.63", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK-2837808A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(C(=O)O)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833816", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYAMEMAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833816, "molecule_chembl_id": "CHEMBL2104153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.47", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYAMEMAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834783", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "24.55 \u00b1 11.69", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834783, "molecule_chembl_id": "CHEMBL3350262", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DCPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24550.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833486", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBICAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833486, "molecule_chembl_id": "CHEMBL3707390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.23", "alogp": "-0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEBICAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(C)C2C1N(C)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828783", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828783, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Crisaborole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1414", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828483", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828483, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prednisolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3132", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828790", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828790, "molecule_chembl_id": "CHEMBL1698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.21", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bupropion hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828794", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMEDASTINE DIFUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828794, "molecule_chembl_id": "CHEMBL2103739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Emedastine difumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1648", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831913", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831913, "molecule_chembl_id": "CHEMBL1165368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMAB-ANABASEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\CCCN=C2c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834433", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834433, "molecule_chembl_id": "CHEMBL4303657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.88", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-316819"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830149", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830149, "molecule_chembl_id": "CHEMBL68381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.67", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FEXOFENADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832725", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832725, "molecule_chembl_id": "CHEMBL1874407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALFADOLONE-ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXATEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833624, "molecule_chembl_id": "CHEMBL2105475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.13", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROXATEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Br)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833263", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833263, "molecule_chembl_id": "CHEMBL3185782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.34", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KARTOGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829085", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829085, "molecule_chembl_id": "CHEMBL6466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COUMARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828624", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828624, "molecule_chembl_id": "CHEMBL4303493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.49", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Allylestrenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7435", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CCC2[C@@H]3CCC4=CCCC[C@@H]4C3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828548", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GREPAFLOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828548, "molecule_chembl_id": "CHEMBL583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Grepafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07757", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833252", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833252, "molecule_chembl_id": "CHEMBL3182437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.49", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828552", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828552, "molecule_chembl_id": "CHEMBL1889140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.87", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropivacaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08355", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833604", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRILOSTANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833604, "molecule_chembl_id": "CHEMBL1200907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRILOSTANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833613", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CPI 613", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833613, "molecule_chembl_id": "CHEMBL3186849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.60", "alogp": "6.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CPI-613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833614, "molecule_chembl_id": "CHEMBL134350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.72", "alogp": "5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FUSIDIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)C3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828909", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828909, "molecule_chembl_id": "CHEMBL3183293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.91", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Imidapril hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08597", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833619", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833619, "molecule_chembl_id": "CHEMBL4303663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.36", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BICUCULLINE-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2C1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833697", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833697, "molecule_chembl_id": "CHEMBL4303155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06463922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833307", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDALOPIRDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833307, "molecule_chembl_id": "CHEMBL3286580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.38", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "IDALOPIRDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833312", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833312, "molecule_chembl_id": "CHEMBL3287735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833321", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BASIMGLURANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833321, "molecule_chembl_id": "CHEMBL3301626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.77", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BASIMGLURANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828621", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828621, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tioguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833286", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833286, "molecule_chembl_id": "CHEMBL3218581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.54", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A66"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834824", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834824, "molecule_chembl_id": "CHEMBL1518572", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "390.44", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833376", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833376, "molecule_chembl_id": "CHEMBL3393348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06447475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838714", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "AGONIST CELLS INFECTED GOES UP TO 200%", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CB-5083", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838714, "molecule_chembl_id": "CHEMBL3747513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CB5083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "280.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828398", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITIOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828398, "molecule_chembl_id": "CHEMBL2104457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.21", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Acetyl-DL-homocysteine Thiolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC1CCSC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833491", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833491, "molecule_chembl_id": "CHEMBL3752060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NLG919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830585", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830585, "molecule_chembl_id": "CHEMBL134859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-89843"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(N3CCCC3)nc(N3CCCC3)nc2n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828561", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828561, "molecule_chembl_id": "CHEMBL4303602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Camylofine chlorhydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0687", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834424", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834424, "molecule_chembl_id": "CHEMBL4303521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ACETYL CARNOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829725", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDOXURIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829725, "molecule_chembl_id": "CHEMBL788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.10", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IDOXURIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828563", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828563, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cilostazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2082", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832634", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832634, "molecule_chembl_id": "CHEMBL1703636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-213"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828826", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828826, "molecule_chembl_id": "CHEMBL1530428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexamethasone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833530, "molecule_chembl_id": "CHEMBL3915519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.48", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RP-001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCC(=O)O)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833699", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833699, "molecule_chembl_id": "CHEMBL4303695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-3861"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2C=C(c3sccc3Br)CC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828567", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEPHENIUM HYDROXYNAPHTHOATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828567, "molecule_chembl_id": "CHEMBL1673148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.54", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Bephenium hydroxynaphthoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828575", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANRENONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828575, "molecule_chembl_id": "CHEMBL1463345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Canrenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5519", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838854", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838854, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lovastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830092", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830092, "molecule_chembl_id": "CHEMBL1255868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.71", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C#Cc2ccccc2)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834794", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "19.97 \u00b1 3.1", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834794, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19970.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834796", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "30.03 \u00b1 30.61", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834796, "molecule_chembl_id": "CHEMBL540612", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "454.01", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30030.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834797", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.07 \u00b1 0.06", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834797, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HARRINGTONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834602", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAGATOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834602, "molecule_chembl_id": "CHEMBL1236183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-(-)-TAGATOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833191", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833191, "molecule_chembl_id": "CHEMBL2431072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.65", "alogp": "1.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEFCAPENE PIVOXIL HYDROCHLORIDE MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828792", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828792, "molecule_chembl_id": "CHEMBL1452303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clindamycin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1636", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828982", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.97", "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828982, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10700.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833248", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833248, "molecule_chembl_id": "CHEMBL3182208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.56", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRAP-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834401", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834401, "molecule_chembl_id": "CHEMBL4303675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6,_7-DEHYDRO-17-ACETOXY-PROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829896", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESMOPRESSIN ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829896, "molecule_chembl_id": "CHEMBL1200556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1129.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DESMOPRESSIN (ACETATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827939", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPIROX OLAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827939, "molecule_chembl_id": "CHEMBL242580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciclopirox ethanolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2225", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832810", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832810, "molecule_chembl_id": "CHEMBL1972294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.62", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORNITHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCCC(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830582", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830582, "molecule_chembl_id": "CHEMBL423707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPHA-D-GLUCOPYRANOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831915", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARSASAPOGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831915, "molecule_chembl_id": "CHEMBL1171146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SARSASAPOGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827414", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827414, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827217", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.62", "bao_label": "organism-based format", "molecule_pref_name": "SALINOMYCIN", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827217, "molecule_chembl_id": "CHEMBL1208572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "751.01", "alogp": "6.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Salinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828650", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828650, "molecule_chembl_id": "CHEMBL2362693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "683.63", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Manidipine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09509", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833507", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMUTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833507, "molecule_chembl_id": "CHEMBL3786343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.60", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OLMUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832450, "molecule_chembl_id": "CHEMBL1511845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.53", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIDIHEXETHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CC[C@](O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827916", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827916, "molecule_chembl_id": "CHEMBL2104891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.61", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sisomicin sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](OC3OC(CN)=CCC3N)[C@@H]2O)OC[C@@]1(C)O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832717", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832717, "molecule_chembl_id": "CHEMBL1867915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "639.83", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MOXIDECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833265", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SORBITAN MONOSTEARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833265, "molecule_chembl_id": "CHEMBL3186117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.63", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SORBITAN-MONOSTEARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833267", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833267, "molecule_chembl_id": "CHEMBL3186509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.33", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-8380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828634", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALTOPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828634, "molecule_chembl_id": "CHEMBL1765291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaltoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1711", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829102", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829102, "molecule_chembl_id": "CHEMBL266591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-METHYL-5-HYDROXYTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(O)cc2c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833347", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833347, "molecule_chembl_id": "CHEMBL3342358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.91", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833108", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXEGOL OXALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833108, "molecule_chembl_id": "CHEMBL2219416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "741.83", "alogp": "1.86", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NALOXEGOL (OXALATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828302", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828302, "molecule_chembl_id": "CHEMBL2356275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "750.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Merbromin disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833106", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833106, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAL-101 (GS-1101)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828294", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828294, "molecule_chembl_id": "CHEMBL1563050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.32", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sulfamethazine sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07695", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833290", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833290, "molecule_chembl_id": "CHEMBL3233606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.17", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-19504"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc(Cc2ccc(Br)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834828", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OCTENIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834828, "molecule_chembl_id": "CHEMBL36342", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "623.84", "alogp": "9.63", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "OCTENIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828609", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFIRACETAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828609, "molecule_chembl_id": "CHEMBL260829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nefiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828476", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHINDRONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828476, "molecule_chembl_id": "CHEMBL1162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norethindrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3949", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828646", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITHIONOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828646, "molecule_chembl_id": "CHEMBL290106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bithionol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828655", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828655, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fudosteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833510", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833510, "molecule_chembl_id": "CHEMBL3786230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.59", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI4KIIIBETA-IN-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)Nc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833363", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833363, "molecule_chembl_id": "CHEMBL3353597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.85", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RQ-00203078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827925", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIGLITOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827925, "molecule_chembl_id": "CHEMBL1561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Miglitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0664", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833308", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04418948", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833308, "molecule_chembl_id": "CHEMBL3286797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04418948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833006", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILOREXANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833006, "molecule_chembl_id": "CHEMBL2107822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FILOREXANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828306", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPIDIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828306, "molecule_chembl_id": "CHEMBL345124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propidium iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2273", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[I-].[I-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833485", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALANYL GLUTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833485, "molecule_chembl_id": "CHEMBL3707366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "-1.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-ALANINE-L-GLUTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833186, "molecule_chembl_id": "CHEMBL2424812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.38", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-E-5002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCN(O)C(=O)CCCCCCCCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833188", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833188, "molecule_chembl_id": "CHEMBL2425825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.27", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-3035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1ccc(/C=C2\\SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830584", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIOCHANIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830584, "molecule_chembl_id": "CHEMBL131921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIOCHANIN A (4-METHYLGENISTEIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832982", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENACLON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832982, "molecule_chembl_id": "CHEMBL2106620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.69", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENACLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833101, "molecule_chembl_id": "CHEMBL2204502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.65", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "XL888"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832544", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832544, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MUBRITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833269", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833269, "molecule_chembl_id": "CHEMBL3186656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.97", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-5274857"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833586", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833586, "molecule_chembl_id": "CHEMBL1628668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.63", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "W-54011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828693", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828693, "molecule_chembl_id": "CHEMBL105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "-1.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mitomycin C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0611", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833590", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAROLUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833590, "molecule_chembl_id": "CHEMBL4297185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.85", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ODM-201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827950", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRTAZAPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827950, "molecule_chembl_id": "CHEMBL654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mirtazapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3C2C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832966", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADELMIDROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832966, "molecule_chembl_id": "CHEMBL2105967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.36", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ADELMIDROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCCC(=O)NCCO)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828273", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCOPYRROLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828273, "molecule_chembl_id": "CHEMBL1201027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.34", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glycopyrrolate bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832449", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832449, "molecule_chembl_id": "CHEMBL1506885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "REVERSAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828696", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LANOCONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828696, "molecule_chembl_id": "CHEMBL1555126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.84", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lanoconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6549", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833210", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833210, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2603618 (IC-83)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833217", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833217, "molecule_chembl_id": "CHEMBL3087498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.58", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGC 0946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833222", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833222, "molecule_chembl_id": "CHEMBL3094387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.25", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR-1078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828528", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REL-CISAPRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828528, "molecule_chembl_id": "CHEMBL74656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.95", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cisapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5097", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827222", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.15", "bao_label": "organism-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827222, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7050.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829190", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829190, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOFETILIDE (TIKOSYN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833723", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833723, "molecule_chembl_id": "CHEMBL1370630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.50", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-141"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829193", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829193, "molecule_chembl_id": "CHEMBL477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829019", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829019, "molecule_chembl_id": "CHEMBL1435413", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "378.90", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Quinidine hydrochloride monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834760", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "14.64 \u00b1 0.67", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "POSACONAZOLE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834760, "molecule_chembl_id": "CHEMBL1397", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "700.79", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "POSACONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14640.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829963", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829963, "molecule_chembl_id": "CHEMBL359744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "DOXORUBICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830061", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIMETHOXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830061, "molecule_chembl_id": "CHEMBL62193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADIMETHOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834375", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834375, "molecule_chembl_id": "CHEMBL4303324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.25", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WY-16922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(=O)Nc1cccc(OC)c1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829680", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILASTATIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829680, "molecule_chembl_id": "CHEMBL1201057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.44", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILASTATIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834675", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.22 \u00b1 0.02", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.66", "bao_label": "organism-based format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834675, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "POLIDOCANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829683, "molecule_chembl_id": "CHEMBL771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOSERINE (D)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CONC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829689", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829689, "molecule_chembl_id": "CHEMBL1256484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.67", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-METHYLDOPAMINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835085", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RISPERIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835085, "molecule_chembl_id": "CHEMBL85", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.49", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Risperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02869", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832729", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW305074X", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832729, "molecule_chembl_id": "CHEMBL1880739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.95", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-5074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828025", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLORFENICOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828025, "molecule_chembl_id": "CHEMBL1241590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Florfenicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832641", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832641, "molecule_chembl_id": "CHEMBL1720563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.60", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-50260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828510", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828510, "molecule_chembl_id": "CHEMBL44657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.56", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "etoposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.004299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828512", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828512, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.009251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833243", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIANHYDROGALACTITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833243, "molecule_chembl_id": "CHEMBL3137322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VAL-083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]([C@@H]1CO1)[C@@H](O)[C@H]1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833331", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833331, "molecule_chembl_id": "CHEMBL3311308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.40", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-37647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831665", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831665, "molecule_chembl_id": "CHEMBL519240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.43", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-987306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834844", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AVATROMBOPAG", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834844, "molecule_chembl_id": "CHEMBL2103883", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "649.67", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "AVATROMBOPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834434", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834434, "molecule_chembl_id": "CHEMBL507327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2c[nH]c3ccccc3c-2nn1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834437", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834437, "molecule_chembl_id": "CHEMBL1208647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.12", "alogp": "-1.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EDTMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835195", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIPERIDEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835195, "molecule_chembl_id": "CHEMBL1101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Biperiden"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834993", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834993, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefdinir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1164", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835080", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835080, "molecule_chembl_id": "CHEMBL81379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "5.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "retinaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3836", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835203", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLENBUTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835203, "molecule_chembl_id": "CHEMBL49080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.20", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clenbuterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07437", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835204", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVUDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835204, "molecule_chembl_id": "CHEMBL458875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Clevudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0509", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835207", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835207, "molecule_chembl_id": "CHEMBL3184512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.97", "alogp": "0.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clindamycin Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828919", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN PICONOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828919, "molecule_chembl_id": "CHEMBL2106254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.40", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ibuprofen Piconol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829907", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANCOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829907, "molecule_chembl_id": "CHEMBL1200628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1485.73", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "VANCOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830138, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID26719690"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828606", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISAXONINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828606, "molecule_chembl_id": "CHEMBL1740513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.19", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isaxonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1ncccn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830101, "molecule_chembl_id": "CHEMBL324162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RO 48-8071 (FUMARATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828390", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCATEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828390, "molecule_chembl_id": "CHEMBL1322218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.82", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Procaterol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c2nc(O)ccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828392", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HIPPURIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828392, "molecule_chembl_id": "CHEMBL461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hippuric acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828662", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828662, "molecule_chembl_id": "CHEMBL446918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.04", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clopidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08923", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(C)c(Cl)c(=O)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827844", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827844, "molecule_chembl_id": "CHEMBL1445834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.58", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adamantamine fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC12CC3CC(CC(C3)C1)C2.NC12CC3CC(CC(C3)C1)C2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828016", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828016, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benserazide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833522", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8835", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833522, "molecule_chembl_id": "CHEMBL3894518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "1.77", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AZD-8835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827927", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAMPIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827927, "molecule_chembl_id": "CHEMBL374478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifampicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2558", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828543", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828543, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lov"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07572", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829009", "_score": 6.4079394, "_source": {"standard_units": "uM", "standard_type": "EC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829009, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "62.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000064", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829010", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829010, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828573", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828573, "molecule_chembl_id": "CHEMBL1201139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Megestrol acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7685", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829126", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTALBITAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829126, "molecule_chembl_id": "CHEMBL454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUTALBITAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833828", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HAEMAPORPHYRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833828, "molecule_chembl_id": "CHEMBL317840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.70", "alogp": "6.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "HEMATOPORPHYRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833720", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AROTINOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833720, "molecule_chembl_id": "CHEMBL93298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.55", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AROTINOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832642", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832642, "molecule_chembl_id": "CHEMBL1721359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "NITARSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828884", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828884, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olanzapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828574", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPARACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828574, "molecule_chembl_id": "CHEMBL1200464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.86", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proparacaine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1448", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958780", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958780, "molecule_chembl_id": "CHEMBL1516077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENSUCCIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.959", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@H](c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963390", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963390, "molecule_chembl_id": "CHEMBL304008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.26", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-93129"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2[nH]cc(C3=CCNCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961990, "molecule_chembl_id": "CHEMBL1889140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.87", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropivacaine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.417", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962807", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962807, "molecule_chembl_id": "CHEMBL2103870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.41", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VX-809 (Lumacaftor)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.625", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963895", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUSPIRONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963895, "molecule_chembl_id": "CHEMBL1200399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.97", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUSPIRONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963273", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENZASTAURIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963273, "molecule_chembl_id": "CHEMBL300138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.62", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Enzastaurin (LY317615)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.091", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959277", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959277, "molecule_chembl_id": "CHEMBL59834", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIMU8 hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959101, "molecule_chembl_id": "CHEMBL277927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.38", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SK&F-10047-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959104", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALOFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959104, "molecule_chembl_id": "CHEMBL1210954", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Balofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.034", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963740", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963740, "molecule_chembl_id": "CHEMBL123433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.10", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-iodo-A-85380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.484", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Ic1cncc(OC[C@@H]2CCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963741", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOVALERAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963741, "molecule_chembl_id": "CHEMBL171066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "101.15", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isovaleramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964211", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.85", "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964211, "molecule_chembl_id": "CHEMBL1096979", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959139", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959139, "molecule_chembl_id": "CHEMBL3039447", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.58", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMETHAZONE PIVALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958945", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIOCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958945, "molecule_chembl_id": "CHEMBL1200438", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.72", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TIOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.542", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964153, "molecule_chembl_id": "CHEMBL4303659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SA-47"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3128", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)COC(=O)NCCC1CCN(c2cccc(C)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964154", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LORLATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964154, "molecule_chembl_id": "CHEMBL3286830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lorlatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.471", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962836", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962836, "molecule_chembl_id": "CHEMBL4303289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMI-4a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2cccc(C(F)(F)F)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964303", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.28", "bao_label": "assay format", "molecule_pref_name": "APOMORPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964303, "molecule_chembl_id": "CHEMBL1616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APOMORPHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "520.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960283", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960283, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.375", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960285", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960285, "molecule_chembl_id": "CHEMBL169233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.10", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "2-APB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOB(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958647", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LABETALOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958647, "molecule_chembl_id": "CHEMBL1200323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.87", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LABETALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964155", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964155, "molecule_chembl_id": "CHEMBL4303714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "466.47", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GS-143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C\\c3ccc(-c4ccccc4F)o3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963477", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963477, "molecule_chembl_id": "CHEMBL371315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.30", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trofinetide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963481", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARGYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963481, "molecule_chembl_id": "CHEMBL1200425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.69", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PARGYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963483", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963483, "molecule_chembl_id": "CHEMBL4303209", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.47", "alogp": "-1.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Paeoniflorin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.725", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963486", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ONVANSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963486, "molecule_chembl_id": "CHEMBL1738758", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.53", "alogp": "1.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NMS-1286937"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964296", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.08", "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE HEMISULFATE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964296, "molecule_chembl_id": "CHEMBL465704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.58", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROFLAVINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "830.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959690", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959690, "molecule_chembl_id": "CHEMBL1555354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITA (NSC 652287)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-22.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959689", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPYLPYRAZOLETRIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959689, "molecule_chembl_id": "CHEMBL441282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958119", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORSULFURON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958119, "molecule_chembl_id": "CHEMBL1229721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.78", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORSULFURON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958123", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958123, "molecule_chembl_id": "CHEMBL561004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.10", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962724", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962724, "molecule_chembl_id": "CHEMBL1963131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB 3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.994", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOPYRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958413, "molecule_chembl_id": "CHEMBL288470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.30", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "aminophenazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963235", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LONIDAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963235, "molecule_chembl_id": "CHEMBL1257030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.16", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "lonidamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(S)-AMPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963844, "molecule_chembl_id": "CHEMBL276815", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPA-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(O)c1C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962291", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962291, "molecule_chembl_id": "CHEMBL3360855", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "4.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ005687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959708", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959708, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.515", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962886", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHAMSYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962886, "molecule_chembl_id": "CHEMBL1514715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.31", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethamsylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC.O=S(=O)(O)c1cc(O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964274", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.40", "bao_label": "assay format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964274, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3990.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962895", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962895, "molecule_chembl_id": "CHEMBL1562779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KD-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955794", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAUROCAPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955794, "molecule_chembl_id": "CHEMBL76591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.48", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Laurocapram\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCN1CCCCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958311", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958311, "molecule_chembl_id": "CHEMBL4526077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.31", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c/c(=N/c2ccc(C)c(C)c2)n2ncnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963711", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMIPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963711, "molecule_chembl_id": "CHEMBL1168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.52", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMIPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960518", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MICRONOMICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960518, "molecule_chembl_id": "CHEMBL373081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.58", "alogp": "-3.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Micronomicin Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962380", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962380, "molecule_chembl_id": "CHEMBL2385591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-212854"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957781", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAXOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957781, "molecule_chembl_id": "CHEMBL423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.43", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAXOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962382", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELACEBEC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962382, "molecule_chembl_id": "CHEMBL3298910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "557.02", "alogp": "6.76", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Q-203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962639", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962639, "molecule_chembl_id": "CHEMBL1256697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.46", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-7930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962648", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-1480", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962648, "molecule_chembl_id": "CHEMBL1231124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.77", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD-1480"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962803", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962803, "molecule_chembl_id": "CHEMBL3787231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.52", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XD-14"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958202", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958202, "molecule_chembl_id": "CHEMBL4574469", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958577", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958577, "molecule_chembl_id": "CHEMBL1488819", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "-2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DYPHYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958214", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958214, "molecule_chembl_id": "CHEMBL447448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.91", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119847"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Br)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963788", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORTRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963788, "molecule_chembl_id": "CHEMBL1201156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.85", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORTRIPTYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958410", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRYPTANTHRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958410, "molecule_chembl_id": "CHEMBL306946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRYPTANTHRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-n2c1nc1ccccc1c2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963013", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963013, "molecule_chembl_id": "CHEMBL186526", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-336372"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958136", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958136, "molecule_chembl_id": "CHEMBL530149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.35", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV006767"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958489", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIADIMEFON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958489, "molecule_chembl_id": "CHEMBL520897", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.75", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIADIMEFON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962567", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962567, "molecule_chembl_id": "CHEMBL500576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "680.76", "alogp": "9.76", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Temoporfin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)CC4)C=C3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958576", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORETHYNODREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958576, "molecule_chembl_id": "CHEMBL1387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORETHYNODREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962725", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962725, "molecule_chembl_id": "CHEMBL542207", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.87", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CI-966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958148", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958148, "molecule_chembl_id": "CHEMBL260876", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "76.12", "alogp": "-0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958414", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3-HYDROXYCOUMARIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958414, "molecule_chembl_id": "CHEMBL150372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.14", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-HYDROXYCOUMARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958153, "molecule_chembl_id": "CHEMBL3526391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.41", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "<i>N</i>-desalkylquetiapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958039", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958039, "molecule_chembl_id": "CHEMBL4097104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.42", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-651282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958040", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958040, "molecule_chembl_id": "CHEMBL1505604", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.28", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-354064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958046", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958046, "molecule_chembl_id": "CHEMBL1713178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.48", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120955"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963089", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963089, "molecule_chembl_id": "CHEMBL1552719", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.53", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-74"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.711", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccncc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962557", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962557, "molecule_chembl_id": "CHEMBL2058538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPP-86"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.302", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962813", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GDC-0917", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962813, "molecule_chembl_id": "CHEMBL4297282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.71", "alogp": "4.07", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "CUDC-427"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.623", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962481", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962481, "molecule_chembl_id": "CHEMBL3421914", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.60", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DDR1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962579", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-1152-HQPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962579, "molecule_chembl_id": "CHEMBL215152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.57", "alogp": "3.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Barasertib (AZD1152-HQPA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960792", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960792, "molecule_chembl_id": "CHEMBL1907089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.45", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc(F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957294", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957294, "molecule_chembl_id": "CHEMBL309138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R121919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961892", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961892, "molecule_chembl_id": "CHEMBL499458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "824.97", "alogp": "3.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Vincristine (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956794", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RICOLINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956794, "molecule_chembl_id": "CHEMBL2364628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RICOLINOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961853", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961853, "molecule_chembl_id": "CHEMBL3188549", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FOSFOMYCIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7246", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961858", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLDOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961858, "molecule_chembl_id": "CHEMBL459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957264", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUNISOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957264, "molecule_chembl_id": "CHEMBL1512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "flunisolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956803", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956803, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NILOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957062", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHTHALYLSULFATHIAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957062, "molecule_chembl_id": "CHEMBL1524273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.44", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHTHALYLSULFATHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961663", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961663, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-methoxyestradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956753", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELVITEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956753, "molecule_chembl_id": "CHEMBL204656", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.89", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELVITEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955625", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955625, "molecule_chembl_id": "CHEMBL495498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.29", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MB05032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960400", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960400, "molecule_chembl_id": "CHEMBL1256740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.83", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-733060"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.587", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955629", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955629, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tretinoin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-64.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834754", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.63 \u00b1 0.42", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834754, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOGUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "630.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836221", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENILCONAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836221, "molecule_chembl_id": "CHEMBL356918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.19", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "enilconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836305", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE MONONITRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836305, "molecule_chembl_id": "CHEMBL1311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.14", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isosorbide mononitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831504", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831504, "molecule_chembl_id": "CHEMBL445001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-METHYL (-)EPHEDRINE [1R,2S]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@H](O)c1ccccc1)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831505", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831505, "molecule_chembl_id": "CHEMBL490153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.90", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-867744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831515", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831515, "molecule_chembl_id": "CHEMBL1622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.40", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836393", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMANTADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836393, "molecule_chembl_id": "CHEMBL660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.25", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amantadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836401", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOLINIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836401, "molecule_chembl_id": "CHEMBL1232801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.45", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Folinic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835975", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835975, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenofibric acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1298", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831414", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831414, "molecule_chembl_id": "CHEMBL3391755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.02", "alogp": "2.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GNTI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836250", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUVOXAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836250, "molecule_chembl_id": "CHEMBL814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluvoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0531", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDAMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829843, "molecule_chembl_id": "CHEMBL1490570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN=C(N)NC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834555", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834555, "molecule_chembl_id": "CHEMBL4303656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.36", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEU-LEU-OME.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835121", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFAMIDIS MEGLUMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835121, "molecule_chembl_id": "CHEMBL2105675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.34", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tafamidis-meglumine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831311", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831311, "molecule_chembl_id": "CHEMBL261010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.74", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF 10166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc3ccccc3nc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836206", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERASIROX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836206, "molecule_chembl_id": "CHEMBL550348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferasirox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836209", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPROPRANOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836209, "molecule_chembl_id": "CHEMBL275742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dexpropranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831341", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW632580X", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831341, "molecule_chembl_id": "CHEMBL261849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW2580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836249", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836249, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1546", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836252", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMEPIZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836252, "molecule_chembl_id": "CHEMBL1308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fomepizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2114", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn[nH]c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836271", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOBETASOL PROPIONATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836271, "molecule_chembl_id": "CHEMBL1200908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.97", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Halobetasol propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836272", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.30720808,0.116711735)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALOPERIDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836272, "molecule_chembl_id": "CHEMBL54", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.87", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Haloperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831402", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HORDENINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831402, "molecule_chembl_id": "CHEMBL505789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HORDENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836005", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESTOSTERONE ENANTHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836005, "molecule_chembl_id": "CHEMBL1200335", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.60", "alogp": "6.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Testosterone Enanthate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1237", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836006", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836006, "molecule_chembl_id": "CHEMBL138297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.31", "alogp": "-2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetraethylenepentamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.008276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNCCNCCNCCN", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836216", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPIVEFRIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836216, "molecule_chembl_id": "CHEMBL1201262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.44", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dipivefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830714", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830714, "molecule_chembl_id": "CHEMBL159096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.54", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-7155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829831", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829831, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Aztreonam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830829, "molecule_chembl_id": "CHEMBL188528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.12", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-200070"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834764", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2.21 \u00b1 1.48", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834764, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2210.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831010", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERCAPTOPURINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831010, "molecule_chembl_id": "CHEMBL1425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.18", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MERCAPTOPURINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1ncnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834542", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834542, "molecule_chembl_id": "CHEMBL4224714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX-647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836403", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FABOMOTIZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836403, "molecule_chembl_id": "CHEMBL3707307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "afobazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2029", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830079", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLSELENOCYSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830079, "molecule_chembl_id": "CHEMBL62382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.08", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "SE-METHYLSELENO-L-CYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[Se]C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836412", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHINIOFON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836412, "molecule_chembl_id": "CHEMBL1788402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.12", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chiniofon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2325", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1cc(I)c(O)c2ncccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836348", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXIFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836348, "molecule_chembl_id": "CHEMBL32", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.44", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moxifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09676", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836470", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836470, "molecule_chembl_id": "CHEMBL1565882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.24", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gidazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07373", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836475", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORCYCLIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836475, "molecule_chembl_id": "CHEMBL22150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "chlorcyclizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05757", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831569", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831569, "molecule_chembl_id": "CHEMBL468984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.20", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PTC-209"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836366", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILORONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836366, "molecule_chembl_id": "CHEMBL539581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.48", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tilorone dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827338", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.33", "bao_label": "organism-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827338, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4680.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830600", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830600, "molecule_chembl_id": "CHEMBL343732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.21", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAX-CHANNEL-BLOCKER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834391", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834391, "molecule_chembl_id": "CHEMBL4303523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.00", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ4003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834615", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOPYRUVATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834615, "molecule_chembl_id": "CHEMBL177837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.96", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-BROMOPYRUVIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)CBr", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829914", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXATIDINE ACETATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829914, "molecule_chembl_id": "CHEMBL2104871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.90", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROXATIDINE (ACETATE HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829916", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829916, "molecule_chembl_id": "CHEMBL1161603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.92", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SM-21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830985", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830985, "molecule_chembl_id": "CHEMBL214253", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.33", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-407824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831016", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARANABANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831016, "molecule_chembl_id": "CHEMBL220360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.96", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TARANABANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836415", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACILLIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836415, "molecule_chembl_id": "CHEMBL702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.56", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Piperacillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834999", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETYLPYRIDINIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834999, "molecule_chembl_id": "CHEMBL305906", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.54", "alogp": "6.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cetylpyridinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835256", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELVITEGRAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835256, "molecule_chembl_id": "CHEMBL204656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.89", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Elvitegravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834908", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834908, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830212", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830212, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN 9 (SF 6847)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834977", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZETHONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834977, "molecule_chembl_id": "CHEMBL1182210", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.64", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benzethonium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830272", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXCARBAZEPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830272, "molecule_chembl_id": "CHEMBL1068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXCARBAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830274", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830274, "molecule_chembl_id": "CHEMBL3187408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.70", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-23.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCC(O)c1cccc(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836389", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836389, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1708", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836177", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836177, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Regorafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2806", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831307", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOGESTREL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831307, "molecule_chembl_id": "CHEMBL1533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.48", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESOGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836179", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836179, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "Rifapentine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836208", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE PIVALATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836208, "molecule_chembl_id": "CHEMBL1200592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "desoxycorticosterone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2223", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836284", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836284, "molecule_chembl_id": "CHEMBL521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibuprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836285", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBUPROFEN PICONOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836285, "molecule_chembl_id": "CHEMBL2106254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.40", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ibuprofen-piconol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831130", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPHNETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831130, "molecule_chembl_id": "CHEMBL244948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.14", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAPHNETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(O)c(O)c2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831415", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831415, "molecule_chembl_id": "CHEMBL486226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.43", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-707035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831108", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-517", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831108, "molecule_chembl_id": "CHEMBL229430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AMG-517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835987", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMOXIFEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835987, "molecule_chembl_id": "CHEMBL83", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.52", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04997", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831116", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831116, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-487-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836233", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOVERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836233, "molecule_chembl_id": "CHEMBL1512949", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.57", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "fenoverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831353", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISEPAMICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831353, "molecule_chembl_id": "CHEMBL272080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.61", "alogp": "-7.52", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ISEPAMICIN SULPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836258", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGAFUR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836258, "molecule_chembl_id": "CHEMBL20883", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FT-207"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n(C2CCCO2)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835988", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMSULOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835988, "molecule_chembl_id": "CHEMBL836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.52", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tamsulosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1193", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833899", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833899, "molecule_chembl_id": "CHEMBL64239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SQ-22536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1CCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836454", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE BUTYRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836454, "molecule_chembl_id": "CHEMBL1683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.56", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hydrocortisone-butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831584", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831584, "molecule_chembl_id": "CHEMBL489157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.76", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CKI-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831590", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831590, "molecule_chembl_id": "CHEMBL496557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.56", "alogp": "6.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FARNESYL-THIOSALICYLIC-ACID-AMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834567", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NYSTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834567, "molecule_chembl_id": "CHEMBL450895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "926.11", "alogp": "0.94", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "NYSTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834670", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.02 \u00b1 0", "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.70", "bao_label": "organism-based format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834670, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMUVATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834984", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOPINDOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834984, "molecule_chembl_id": "CHEMBL357995", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bopindolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2339", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835237", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835237, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dichlorphenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834773", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "13.71 \u00b1 6.18", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AVASIMIBE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834773, "molecule_chembl_id": "CHEMBL101309", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "501.73", "alogp": "7.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AVASIMIBE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13710.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834991", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPRAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834991, "molecule_chembl_id": "CHEMBL2028019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cariprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1969", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835197", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPERIDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835197, "molecule_chembl_id": "CHEMBL28218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834581", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834581, "molecule_chembl_id": "CHEMBL4303640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MR-948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCc1ccc(OCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829882", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENFLURIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829882, "molecule_chembl_id": "CHEMBL47050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.97", "alogp": "7.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PENFLURIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830351", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830351, "molecule_chembl_id": "CHEMBL96606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.42", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY231617"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834917", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTAMBEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834917, "molecule_chembl_id": "CHEMBL127516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Butamben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835179", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABACAVIR SULFATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835179, "molecule_chembl_id": "CHEMBL1200619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.42", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Abacavir hemisulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830880", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830880, "molecule_chembl_id": "CHEMBL1325297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.55", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMEBUTINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955618", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955618, "molecule_chembl_id": "CHEMBL333133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.20", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Phenoxypyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960951", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960951, "molecule_chembl_id": "CHEMBL3348842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.67", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyclovirobuxin D (Bebuxine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830724", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830724, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID50126317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835228", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEBRISOQUIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835228, "molecule_chembl_id": "CHEMBL169901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "175.24", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "debrisoquin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N1CCc2ccccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830725", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILSICAINIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830725, "molecule_chembl_id": "CHEMBL163238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PILSICAINIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830729", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830729, "molecule_chembl_id": "CHEMBL1213137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOMIPHENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834699", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.89 \u00b1 0.03", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.72", "bao_label": "organism-based format", "molecule_pref_name": "CHLORMIDAZOLE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834699, "molecule_chembl_id": "CHEMBL152649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1890.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829899", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829899, "molecule_chembl_id": "CHEMBL296407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.19", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829938", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAMODENOSON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829938, "molecule_chembl_id": "CHEMBL431733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.74", "alogp": "1.06", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CF102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829940", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829940, "molecule_chembl_id": "CHEMBL1200388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834648", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834648, "molecule_chembl_id": "CHEMBL4303544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.75", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CNCc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCRALFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834659, "molecule_chembl_id": "CHEMBL2367706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "2072.71", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SUCRALFATE [5MM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830169", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830169, "molecule_chembl_id": "CHEMBL540034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.34", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "3-CPMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830174, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CANDESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830177", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENESTROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830177, "molecule_chembl_id": "CHEMBL1018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIENESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLMETIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830184, "molecule_chembl_id": "CHEMBL1200613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLMETIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830486", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830486, "molecule_chembl_id": "CHEMBL117904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.42", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-WAG-994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955739", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955739, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tranilast\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834807", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834807, "molecule_chembl_id": "CHEMBL4303677", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "660.53", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AI-10-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829813", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829813, "molecule_chembl_id": "CHEMBL288114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.12", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834517", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834517, "molecule_chembl_id": "CHEMBL4303401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.12", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(5-FLUORO-3-PYRIDYL)METHANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cncc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830137", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N6-CYCLOPENTYLADENOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830137, "molecule_chembl_id": "CHEMBL68738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.36", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-CYCLOPENTYLADENOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834435", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834435, "molecule_chembl_id": "CHEMBL4303361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.26", "alogp": "3.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NT157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(CNC(=S)/C=C/c2cc(O)c(O)c(Br)c2)cc(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955977", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETONOGESTREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955977, "molecule_chembl_id": "CHEMBL1531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etonogestrel\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834603", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834603, "molecule_chembl_id": "CHEMBL4303303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.65", "alogp": "4.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HER2 INHIBITOR 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1ccn2ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834630", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834630, "molecule_chembl_id": "CHEMBL3039178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.49", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUININE ETHYL CARBONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830357", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISPHENOL A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830357, "molecule_chembl_id": "CHEMBL418971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISPHENOL-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830279", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYCLIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830279, "molecule_chembl_id": "CHEMBL1761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.91", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCYCLIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956023", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956023, "molecule_chembl_id": "CHEMBL3182598", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lynestrenol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834452", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834452, "molecule_chembl_id": "CHEMBL4303348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUTATHIONE-MONOISOPROPYL-ESTER"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829923", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829923, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "LIXIVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834631", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834631, "molecule_chembl_id": "CHEMBL4303562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-DEOXYGLUCOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829936", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829936, "molecule_chembl_id": "CHEMBL888", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.20", "alogp": "-1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962954", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962954, "molecule_chembl_id": "CHEMBL221753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.09", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZETHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.701", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAMIPROSATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963413, "molecule_chembl_id": "CHEMBL149082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "139.18", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRAMIPROSATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963416", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELITHROMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963416, "molecule_chembl_id": "CHEMBL1136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "812.02", "alogp": "4.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TELITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.973", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958418", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958418, "molecule_chembl_id": "CHEMBL109227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.85", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "4,4'-Biphenyldiboronic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958917", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958917, "molecule_chembl_id": "CHEMBL4303462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.66", "alogp": "5.61", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A12B4C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(O)C1C=CC2C(=O)N(c3ccccc3)C(=O)C2N1Nc1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964138, "molecule_chembl_id": "CHEMBL191958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.43", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genz-644282"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964264", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.62", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964264, "molecule_chembl_id": "CHEMBL1161936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxypyridine-disulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958958", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLESOXIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958958, "molecule_chembl_id": "CHEMBL3545254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.66", "alogp": "7.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Olesoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENTOSPLETINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963138, "molecule_chembl_id": "CHEMBL3265032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Entospletinib (GS-9973)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963919", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963919, "molecule_chembl_id": "CHEMBL180570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.00", "alogp": "-0.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "medronic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959315", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOLAMARGINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959315, "molecule_chembl_id": "CHEMBL443114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "868.07", "alogp": "0.81", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Solamargine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CN8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958222", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958222, "molecule_chembl_id": "CHEMBL1550451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.30", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-645789"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958540", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHYLLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958540, "molecule_chembl_id": "CHEMBL221190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.35", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHYLLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963147", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963147, "molecule_chembl_id": "CHEMBL212301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Arginine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958621", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958621, "molecule_chembl_id": "CHEMBL284895", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.11", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ibotenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958778", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958778, "molecule_chembl_id": "CHEMBL275854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-methylserotonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963384", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADH-1", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963384, "molecule_chembl_id": "CHEMBL3818130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "-2.05", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "ADH-1 trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959423", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959423, "molecule_chembl_id": "CHEMBL1315939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETODOLAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959226", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDRASTININE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959226, "molecule_chembl_id": "CHEMBL1517651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.69", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDRASTININE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2C1O)OCO3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959730", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANAMORELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959730, "molecule_chembl_id": "CHEMBL2110579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "546.72", "alogp": "2.72", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Anamorelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964343", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPELOPSIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964343, "molecule_chembl_id": "CHEMBL3348861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.25", "alogp": "0.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Dihydromyricetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958951", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958951, "molecule_chembl_id": "CHEMBL375629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.63", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "N-benzylnaltrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSEMOZOTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962413, "molecule_chembl_id": "CHEMBL1742408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "osemozotan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962504", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARBACLOFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962504, "molecule_chembl_id": "CHEMBL301742", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(R)-baclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962994", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINACIGUAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962994, "molecule_chembl_id": "CHEMBL1236936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.71", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Cinaciguat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958792", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958792, "molecule_chembl_id": "CHEMBL1255966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-hydroxy-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCCN(CCC)C1CCc2ccc(O)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961665", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIDOTIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961665, "molecule_chembl_id": "CHEMBL1488165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "-0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIDOTIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.534", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959335", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SNAP (S-NITROSO-N-ACETYLPENICILLAMINE)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959335, "molecule_chembl_id": "CHEMBL27308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.25", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNAP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC(C(=O)O)C(C)(C)SN=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959768", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUVACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959768, "molecule_chembl_id": "CHEMBL1256362", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.60", "alogp": "-0.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guvacine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCCNC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964376", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964376, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EGCG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959770", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959770, "molecule_chembl_id": "CHEMBL1092926", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.56", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-BSK805 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964380", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964380, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "exifone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962406", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-NAPHTHALIMIDOBUTYRIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962406, "molecule_chembl_id": "CHEMBL403272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.28", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isodibut"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956746", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956746, "molecule_chembl_id": "CHEMBL283807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.22", "alogp": "-2.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964339", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964339, "molecule_chembl_id": "CHEMBL505308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.23", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Br.Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958157", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958157, "molecule_chembl_id": "CHEMBL1711169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PENICILLIN V BENZATHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962758", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962758, "molecule_chembl_id": "CHEMBL429298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.83", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962763", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GS 6201", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962763, "molecule_chembl_id": "CHEMBL260933", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.43", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GS-6201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962657", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962657, "molecule_chembl_id": "CHEMBL98572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.52", "alogp": "8.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FGIN-1-43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.663", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962663", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RODUCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962663, "molecule_chembl_id": "CHEMBL2064455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.22", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RX-3117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958100", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958100, "molecule_chembl_id": "CHEMBL266084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD015498"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(c2c1)CCNC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962701", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MILRINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962701, "molecule_chembl_id": "CHEMBL189", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MILRINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964068", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMIPRILOSE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964068, "molecule_chembl_id": "CHEMBL1256946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.83", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amiprilose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCO[C@H]1[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958101, "molecule_chembl_id": "CHEMBL4578491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.86", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD-1236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958069", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958069, "molecule_chembl_id": "CHEMBL1424957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-314397"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958080", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958080, "molecule_chembl_id": "CHEMBL3427690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.48", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 48 [PMID: 25815140]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1nc(NCc1ccc(-c3ccccc3)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959413, "molecule_chembl_id": "CHEMBL97257", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK-571 (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCS[C@@H](SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960222", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960222, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Dactolisib (BEZ235; NVP-BEZ235)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.127", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955740", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALANYL GLUTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955740, "molecule_chembl_id": "CHEMBL3707366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "-1.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Glutamine dipeptide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955750", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PK-11195", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955750, "molecule_chembl_id": "CHEMBL481537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.87", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PK-11195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958174, "molecule_chembl_id": "CHEMBL3763550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.51", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-299717"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962776", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962776, "molecule_chembl_id": "CHEMBL522770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.37", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-706375"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCN(C)C3)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962779", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIDAMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962779, "molecule_chembl_id": "CHEMBL1490570", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.74", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lidamidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN=C(N)NC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958376", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIPROFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958376, "molecule_chembl_id": "CHEMBL8", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ciprofloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962980", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962980, "molecule_chembl_id": "CHEMBL481512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.63", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MCOPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956009", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENPROFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956009, "molecule_chembl_id": "CHEMBL279898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Enprofylline\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c(=O)c2[nH]cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960784", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVANS BLUE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960784, "molecule_chembl_id": "CHEMBL1200712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "960.82", "alogp": "6.67", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "EVANS BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962986", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962986, "molecule_chembl_id": "CHEMBL1704116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levobunolol-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959588", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959588, "molecule_chembl_id": "CHEMBL58510", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROQUINE DIPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959215", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESOMEPRAZOLE MAGNESIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959215, "molecule_chembl_id": "CHEMBL2146133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "713.14", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Esomeprazole magnesium trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964323", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964323, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959726", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959726, "molecule_chembl_id": "CHEMBL63064", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.43", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DAA-1106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964302", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "8.00", "bao_label": "assay format", "molecule_pref_name": "PHENYLMERCURIC ACETATE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964302, "molecule_chembl_id": "CHEMBL1333953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.74", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "PHENYLMERCURIC ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960510", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE TRIACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960510, "molecule_chembl_id": "CHEMBL2107381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.31", "alogp": "-1.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Uridine triacetate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955506", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TICAGRELOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955506, "molecule_chembl_id": "CHEMBL398435", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ticagrelor\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963033", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLSELENOCYSTEINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963033, "molecule_chembl_id": "CHEMBL62382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.08", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "Se-methylseleno-L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[Se]C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963190", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAPHAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963190, "molecule_chembl_id": "CHEMBL1706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.74", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NAPHAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959543", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959543, "molecule_chembl_id": "CHEMBL1322301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.23", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-MATIDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)O)sc1C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964139", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLINABULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964139, "molecule_chembl_id": "CHEMBL1096380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.40", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "plinabulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1[nH]cnc1/C=c1\\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963924", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963924, "molecule_chembl_id": "CHEMBL4303613", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.52", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Deflazacort (Calcort)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959320", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959320, "molecule_chembl_id": "CHEMBL306147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959322", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959322, "molecule_chembl_id": "CHEMBL1475191", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "deptropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959327", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959327, "molecule_chembl_id": "CHEMBL67601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959550", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRONETALOLHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959550, "molecule_chembl_id": "CHEMBL1876082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.78", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRONETALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.214", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc2ccccc2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959631", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959631, "molecule_chembl_id": "CHEMBL4303482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1440.59", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "bleomycetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)NC(C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)[C@@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964253", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.75", "bao_label": "assay format", "molecule_pref_name": "AMPELOPSIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964253, "molecule_chembl_id": "CHEMBL3348861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.25", "alogp": "0.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Dihydromyricetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "180.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963419", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963419, "molecule_chembl_id": "CHEMBL409024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.19", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-040"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(-c2ccc(Cl)cc2Cl)cc(CP(=O)(O)O)c1O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959530, "molecule_chembl_id": "CHEMBL4303485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1664.92", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Thiostrepton"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.168", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@](C)(O)[C@@H](C)O)NC(=O)[C@H]5CSC(=N5)/C(=C/C)NC(=O)C([C@@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)C([C@@H](C)CC)NC2C=Cc3c([C@H](C)O)cc(nc3C2O)C(=O)O[C@@H]4C)n1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959653", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959653, "molecule_chembl_id": "CHEMBL1892416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.28", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EBPC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963846", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCHROMYCINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963846, "molecule_chembl_id": "CHEMBL256705", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.32", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ochromycinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957213", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-1064", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957213, "molecule_chembl_id": "CHEMBL3338866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.91", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MK-1064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961749", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAMOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961749, "molecule_chembl_id": "CHEMBL1201171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAMOXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957223", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957223, "molecule_chembl_id": "CHEMBL226838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.41", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-505124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957425", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957425, "molecule_chembl_id": "CHEMBL1224151", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "E 2012"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956153, "molecule_chembl_id": "CHEMBL129677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.34", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 77-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956127, "molecule_chembl_id": "CHEMBL202721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.60", "alogp": "4.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-447439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956146", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956146, "molecule_chembl_id": "CHEMBL3939958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "795.04", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC3866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960034", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XYLOMETAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960034, "molecule_chembl_id": "CHEMBL1256400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.84", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "XYLOMETAZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960046", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960046, "molecule_chembl_id": "CHEMBL1483237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.31", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tremorine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.502", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(#CCN1CCCC1)CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964367", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964367, "molecule_chembl_id": "CHEMBL518800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CR8-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960906", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROTOPORPHYRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960906, "molecule_chembl_id": "CHEMBL1325592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.67", "alogp": "7.50", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PROTOPORPHYRIN IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.531", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960870", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960870, "molecule_chembl_id": "CHEMBL2311578", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.68", "alogp": "5.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NMS-873"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956137", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956137, "molecule_chembl_id": "CHEMBL405346", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.40", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MT-DADMe-ImmA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960056", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NARINGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960056, "molecule_chembl_id": "CHEMBL9352", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.26", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naringenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.132", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956115", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956115, "molecule_chembl_id": "CHEMBL3828009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.32", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2874455"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960892", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIFENDATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960892, "molecule_chembl_id": "CHEMBL105184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Bifendate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960873", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960873, "molecule_chembl_id": "CHEMBL4303198", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.35", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-Ras(G12C) inhibitor 6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCS)NC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961792", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENHYDRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961792, "molecule_chembl_id": "CHEMBL1620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENHYDRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957195", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957195, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RALTITREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957197", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZEMETOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957197, "molecule_chembl_id": "CHEMBL3414621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "572.75", "alogp": "4.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tazemetostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957593", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957593, "molecule_chembl_id": "CHEMBL3414623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "574.77", "alogp": "5.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LLY-507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956761", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956761, "molecule_chembl_id": "CHEMBL209148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "623.85", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS-509744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962510", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BASIMGLURANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962510, "molecule_chembl_id": "CHEMBL3301626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.77", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Basimglurant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962432", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOSALAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962432, "molecule_chembl_id": "CHEMBL2104260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.24", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOSALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962533", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RU-58841", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962533, "molecule_chembl_id": "CHEMBL9337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 58841"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956721", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENCORAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956721, "molecule_chembl_id": "CHEMBL3301612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.02", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ENCORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956812", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANDROSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956812, "molecule_chembl_id": "CHEMBL87285", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPIANDROSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957457", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CP-724714", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957457, "molecule_chembl_id": "CHEMBL483321", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CP-724714"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957324", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-650394", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957324, "molecule_chembl_id": "CHEMBL558642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK650394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957027", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LORLATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957027, "molecule_chembl_id": "CHEMBL3286830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PF-06463922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961927", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961927, "molecule_chembl_id": "CHEMBL1398213", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.22", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-91488"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.125", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCCSC(=N)N.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957934", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957934, "molecule_chembl_id": "CHEMBL3108871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIQ-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2sccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962545", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIDOFLAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962545, "molecule_chembl_id": "CHEMBL92870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.63", "alogp": "5.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lidoflazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957947", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957947, "molecule_chembl_id": "CHEMBL116655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD048934"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956980", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STAVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956980, "molecule_chembl_id": "CHEMBL991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "STAVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961947", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961947, "molecule_chembl_id": "CHEMBL121626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.71", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962161", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962161, "molecule_chembl_id": "CHEMBL1208647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.12", "alogp": "-1.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EDTMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957568", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUTICASONE PROPIONATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957568, "molecule_chembl_id": "CHEMBL1473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.58", "alogp": "4.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUTICASONE PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIOXSALEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962171, "molecule_chembl_id": "CHEMBL1475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962181", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALPELISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962181, "molecule_chembl_id": "CHEMBL2396661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alpelisib (BYL719)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.392", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962185", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PEFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962185, "molecule_chembl_id": "CHEMBL1428564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.47", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956847", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956847, "molecule_chembl_id": "CHEMBL4536936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIM1/2 Kinase Inhibitor VI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(/C=C2/SC(=O)NC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956848", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDRALAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956848, "molecule_chembl_id": "CHEMBL276832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDRALAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961677", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASELISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961677, "molecule_chembl_id": "CHEMBL2387080", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.54", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Taselisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956850", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPTIFIBATIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956850, "molecule_chembl_id": "CHEMBL1174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "831.98", "alogp": "-1.84", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "EPTIFIBATIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961682", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTOLINIUM TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961682, "molecule_chembl_id": "CHEMBL1318287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "538.59", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pentolinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956855", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIZANIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956855, "molecule_chembl_id": "CHEMBL1079", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.72", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIZANIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2nsnc2c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956857", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HISTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956857, "molecule_chembl_id": "CHEMBL90", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "111.15", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HISTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957495", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-461364", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957495, "molecule_chembl_id": "CHEMBL1908394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK461364"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962096", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962096, "molecule_chembl_id": "CHEMBL458603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.75", "alogp": "6.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CITCO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957498", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957498, "molecule_chembl_id": "CHEMBL398412", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "785.03", "alogp": "2.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ginsenoside Rg3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962227", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962227, "molecule_chembl_id": "CHEMBL2386353", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.32", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TUG-770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957503", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957503, "molecule_chembl_id": "CHEMBL4073922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "691.64", "alogp": "8.55", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2193874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962104", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962104, "molecule_chembl_id": "CHEMBL3259907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.52", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BI 224436"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957465", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957465, "molecule_chembl_id": "CHEMBL4091991", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.60", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMX-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962249", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VIPADENANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962249, "molecule_chembl_id": "CHEMBL447664", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Vipadenant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.854", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957466", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CELECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957466, "molecule_chembl_id": "CHEMBL118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CELECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962065", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962065, "molecule_chembl_id": "CHEMBL442329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "177.16", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Luminol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c(=O)[nH][nH]c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961830", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAK-960", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961830, "molecule_chembl_id": "CHEMBL2392545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.61", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957163", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZAMIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957163, "molecule_chembl_id": "CHEMBL212579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.76", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZAMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957236", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "WIN-552122", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957236, "molecule_chembl_id": "CHEMBL188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.52", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WIN55,212-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957169", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957169, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961769", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METYRAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961769, "molecule_chembl_id": "CHEMBL934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYRAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961845", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961845, "molecule_chembl_id": "CHEMBL210846", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.39", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU1545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962044", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXIBENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962044, "molecule_chembl_id": "CHEMBL1087630", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961847", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIBEKACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961847, "molecule_chembl_id": "CHEMBL560976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.52", "alogp": "-5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DIBEKACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962045", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NANDROLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962045, "molecule_chembl_id": "CHEMBL757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nandrolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962046", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962046, "molecule_chembl_id": "CHEMBL4303432", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.48", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YM-244769"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)cc3)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962209", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962209, "molecule_chembl_id": "CHEMBL317229", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.45", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CO-101244"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962008", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962008, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TOREMIFENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957413, "molecule_chembl_id": "CHEMBL4177187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.64", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyr3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cnn(-c2ccc(NC(=O)C(Cl)=C(Cl)Cl)cc2)c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962015", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962015, "molecule_chembl_id": "CHEMBL255408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.87", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Teijin-compound-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962017", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962017, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cabozantinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961835", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEBRANOPADOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961835, "molecule_chembl_id": "CHEMBL2364605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.49", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Cebranopadol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961768", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961768, "molecule_chembl_id": "CHEMBL4303246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "966.23", "alogp": "6.05", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Zotarolimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962039", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BILASTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962039, "molecule_chembl_id": "CHEMBL1742423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.62", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bilastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961842", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961842, "molecule_chembl_id": "CHEMBL4303533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Pixantrone (dimaleate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957304", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICIRIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957304, "molecule_chembl_id": "CHEMBL331237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.31", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "triciribine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957307", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIBEFRADIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957307, "molecule_chembl_id": "CHEMBL45816", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.64", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mibefradil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957309", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957309, "molecule_chembl_id": "CHEMBL489156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961908", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALANTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961908, "molecule_chembl_id": "CHEMBL659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GALANTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957720", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957720, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961932", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961932, "molecule_chembl_id": "CHEMBL1319741", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.26", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dihydro-?-erythroidine\u00e1HBr"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.605", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957338", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NARATRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957338, "molecule_chembl_id": "CHEMBL1278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.47", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NARATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957558", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957558, "molecule_chembl_id": "CHEMBL363211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.40", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956865", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIPERIDEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956865, "molecule_chembl_id": "CHEMBL1101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BIPERIDEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962254", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962254, "molecule_chembl_id": "CHEMBL1721359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Nitarsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.128", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957658", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957658, "molecule_chembl_id": "CHEMBL2336409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.53", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGI-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956661", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956661, "molecule_chembl_id": "CHEMBL4541479", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "648.79", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AX 15836"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(S(C)(=O)=O)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956677", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956677, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961922", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961922, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956905", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOFOGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956905, "molecule_chembl_id": "CHEMBL2110731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.44", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TOFOGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957473", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOTRIMAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957473, "molecule_chembl_id": "CHEMBL104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOTRIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957335", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARFILZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957335, "molecule_chembl_id": "CHEMBL451887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "719.92", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CARFILZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957105", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957105, "molecule_chembl_id": "CHEMBL4593105", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cabergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962082", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962082, "molecule_chembl_id": "CHEMBL4303488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.51", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eact"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962084", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962084, "molecule_chembl_id": "CHEMBL4303505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.30", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pterostilbene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957496", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALANTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957496, "molecule_chembl_id": "CHEMBL659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GALANTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957469", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957469, "molecule_chembl_id": "CHEMBL72365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.95", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW 5074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957145", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NBQX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957145, "molecule_chembl_id": "CHEMBL222519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NBQX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAUWOLSCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957454, "molecule_chembl_id": "CHEMBL10347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RAUWOLSCINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957018", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMILORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957018, "molecule_chembl_id": "CHEMBL945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.63", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMILORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1nc(Cl)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960708", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DALFAMPRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960708, "molecule_chembl_id": "CHEMBL284348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "94.12", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMPRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956022", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956022, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955994", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955994, "molecule_chembl_id": "CHEMBL371315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.30", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trofinetide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960769", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GYKI-52466", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960769, "molecule_chembl_id": "CHEMBL275006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GYKI-52466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958110", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZYLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958110, "molecule_chembl_id": "CHEMBL522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "107.16", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962711", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-431542", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962711, "molecule_chembl_id": "CHEMBL440084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-431542"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.475", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960450, "molecule_chembl_id": "CHEMBL2181226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.49", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-G-1005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960463", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960463, "molecule_chembl_id": "CHEMBL261557", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-835"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.791", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956139", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956139, "molecule_chembl_id": "CHEMBL3605456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960915", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960915, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960917", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960917, "molecule_chembl_id": "CHEMBL3414619", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "569.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC1999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.266", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956145", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANADATE ION", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956145, "molecule_chembl_id": "CHEMBL1163564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.94", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Sodium orthovanadate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956807", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956807, "molecule_chembl_id": "CHEMBL2169919", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.68", "alogp": "2.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ004777"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956732", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERGOLIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956732, "molecule_chembl_id": "CHEMBL531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.50", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pergolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956068", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GOSSYPOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956068, "molecule_chembl_id": "CHEMBL51483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.56", "alogp": "6.38", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Gossypol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956074", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956074, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Grazoprevir hydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-61.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960805", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960805, "molecule_chembl_id": "CHEMBL4303231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.26", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH-170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960410", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROPINIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960410, "molecule_chembl_id": "CHEMBL1200411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.84", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ropinirole HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960854", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMMEPIP", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960854, "molecule_chembl_id": "CHEMBL18661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "immepip"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1nc(CC2CCNCC2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960859", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960859, "molecule_chembl_id": "CHEMBL598952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.16", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ODQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06339", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1onc2cnc3ccccc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960470", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIRATEGRAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960470, "molecule_chembl_id": "CHEMBL2104967", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.51", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Firategrast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961801", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALCLOFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961801, "molecule_chembl_id": "CHEMBL94081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.66", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "alclofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccc(CC(=O)O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834804", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834804, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMUVATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERIPRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830153, "molecule_chembl_id": "CHEMBL70927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEFERIPRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)ccn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830193", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830193, "molecule_chembl_id": "CHEMBL4066998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.13", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835400", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBADOX", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835400, "molecule_chembl_id": "CHEMBL13779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.23", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carbadox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830194", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOLINANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830194, "molecule_chembl_id": "CHEMBL74355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.47", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VOLINANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834729", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "18.95 \u00b1 0.43", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834729, "molecule_chembl_id": "CHEMBL540612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.01", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18950.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834737", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.06 \u00b1 0.01", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834737, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMUVATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830037", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXORIBINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830037, "molecule_chembl_id": "CHEMBL292008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.31", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RWJ-21757"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830040", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830040, "molecule_chembl_id": "CHEMBL292411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MANDELIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834745", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.06 \u00b1 0", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ALVOCIDIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834745, "molecule_chembl_id": "CHEMBL2105698", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ALVOCIDIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829745", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829745, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILOSTAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834447", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834447, "molecule_chembl_id": "CHEMBL4238186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TFC-007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)c1cnc(Oc2ccccc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834449", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONC-201", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834449, "molecule_chembl_id": "CHEMBL4297310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ONC201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835581", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARITAPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835581, "molecule_chembl_id": "CHEMBL3391662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.89", "alogp": "3.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "paritaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835395", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANAGLIFLOZIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835395, "molecule_chembl_id": "CHEMBL2048484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.52", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Canagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2292", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830104", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830104, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MYRICETIN (CANNABISCETIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830700", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARIQUIDAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830700, "molecule_chembl_id": "CHEMBL348475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "646.74", "alogp": "6.37", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "TARIQUIDAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834521", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834521, "molecule_chembl_id": "CHEMBL4303685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.46", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HLCL-61 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(CNCc3ccccc3OC)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829823", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829823, "molecule_chembl_id": "CHEMBL291157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1-ETHYL-4-OXO-7-(4-PYRIDYL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829913", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PUTRESCINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829913, "molecule_chembl_id": "CHEMBL1528028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "161.08", "alogp": "-0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PUTRESCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-715", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830912, "molecule_chembl_id": "CHEMBL363648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.52", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TAK-715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835064", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYCLIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835064, "molecule_chembl_id": "CHEMBL86715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.45", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "procyclidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2175", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835971", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEBUXOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835971, "molecule_chembl_id": "CHEMBL1164729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Febuxostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835972", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835972, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06665", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830057", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SECURININE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830057, "molecule_chembl_id": "CHEMBL303062", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.27", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SECURININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829811", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829811, "molecule_chembl_id": "CHEMBL1410748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-METHYLQUIPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3ccccc3n2)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834513", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834513, "molecule_chembl_id": "CHEMBL1235103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.43", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PPY-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834518", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERLIPRESSIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834518, "molecule_chembl_id": "CHEMBL2135460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1227.39", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "TERLIPRESSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834520, "molecule_chembl_id": "CHEMBL653", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.47", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIZATIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C\\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830119", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERIMEPODIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830119, "molecule_chembl_id": "CHEMBL304087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.47", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MERIMEPODIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834842", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834842, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEXIDARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834439", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMEGLIMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834439, "molecule_chembl_id": "CHEMBL4297514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.21", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IMEGLIMIN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1N=C(N(C)C)N=C(N)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834852", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834852, "molecule_chembl_id": "CHEMBL195789", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-9810"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834511", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834511, "molecule_chembl_id": "CHEMBL291143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A77636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834399", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834399, "molecule_chembl_id": "CHEMBL4303305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.81", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LH846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830000", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYL-L-LEUCINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830000, "molecule_chembl_id": "CHEMBL56021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYL-L-LEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960383", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960383, "molecule_chembl_id": "CHEMBL3940387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.62", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2857785"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955609", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955609, "molecule_chembl_id": "CHEMBL1077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromfenac\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960386", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IGURATIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960386, "molecule_chembl_id": "CHEMBL2107455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.37", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iguratimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-166.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956157", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956157, "molecule_chembl_id": "CHEMBL3086767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "santacruzamate A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NCCCC(=O)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960456", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFALENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960456, "molecule_chembl_id": "CHEMBL1525826", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sulfametopyrazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccnc1NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957886", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957886, "molecule_chembl_id": "CHEMBL526307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.22", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AF-353"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962488", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962488, "molecule_chembl_id": "CHEMBL1256141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.25", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-7142"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963905", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW305074X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963905, "molecule_chembl_id": "CHEMBL1880739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.95", "alogp": "5.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-5074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958152", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958152, "molecule_chembl_id": "CHEMBL200238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.63", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD007963"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962753", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRPHOSTIN AG-1478", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962753, "molecule_chembl_id": "CHEMBL7917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.76", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1478 (Tyrphostin AG-1478)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955984", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAZOXANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955984, "molecule_chembl_id": "CHEMBL444186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Razoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962878", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962878, "molecule_chembl_id": "CHEMBL1996382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.22", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCOS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959405", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOPENTAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959405, "molecule_chembl_id": "CHEMBL441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.34", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thiopental"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955795", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(-)-EPICATECHIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955795, "molecule_chembl_id": "CHEMBL583912", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(-)-Epicatechin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962885", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962885, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib (AB1010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958083", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958083, "molecule_chembl_id": "CHEMBL1172443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.57", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958285", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958285, "molecule_chembl_id": "CHEMBL14058", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CORTODOXONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963696", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENRETINIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963696, "molecule_chembl_id": "CHEMBL7301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.56", "alogp": "6.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fenretinide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958294", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958294, "molecule_chembl_id": "CHEMBL1609139", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "strychnine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963702", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDACATEROL MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963702, "molecule_chembl_id": "CHEMBL1789842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indacaterol Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962892", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUDARABINE PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962892, "molecule_chembl_id": "CHEMBL1096882", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.21", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUDARABINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959673", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959673, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYCHLOROQUINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962916", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962916, "molecule_chembl_id": "CHEMBL257591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.73", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-120596"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959681", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOXORIBINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959681, "molecule_chembl_id": "CHEMBL292008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.31", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RWJ-21757"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.014", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964177", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964177, "molecule_chembl_id": "CHEMBL4303307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "765.06", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "pyrvinium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.114", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANSHINONE IIA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959683, "molecule_chembl_id": "CHEMBL187266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanshinone IIA (Tanshinone B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.338", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962385", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARAMIPHEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962385, "molecule_chembl_id": "CHEMBL1598472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.88", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Caramiphen; Parpanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958996", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOCETAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958996, "molecule_chembl_id": "CHEMBL1200770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "613.96", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "iocetamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958009", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958009, "molecule_chembl_id": "CHEMBL1339149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML345 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959001", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959001, "molecule_chembl_id": "CHEMBL1405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962615", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962615, "molecule_chembl_id": "CHEMBL23236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.73", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Betulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955915", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955915, "molecule_chembl_id": "CHEMBL3338326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emoxipin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960498", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960498, "molecule_chembl_id": "CHEMBL351772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.79", "alogp": "7.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-168049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.764", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955648", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDELALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955648, "molecule_chembl_id": "CHEMBL2216870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.43", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idelalisib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960425", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IBUDILAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960425, "molecule_chembl_id": "CHEMBL19449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ibudilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955738, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956012", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STIRIPENTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956012, "molecule_chembl_id": "CHEMBL1983350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.29", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Stiripentol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964003", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW7647", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964003, "molecule_chembl_id": "CHEMBL21241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.77", "alogp": "7.28", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-7647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERAMEPROCOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963142, "molecule_chembl_id": "CHEMBL90983", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.48", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "terameprocol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964406", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAZOXANE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964406, "molecule_chembl_id": "CHEMBL444186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Razoxane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959800", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959800, "molecule_chembl_id": "CHEMBL1354363", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RABEPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964413, "molecule_chembl_id": "CHEMBL1200930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rabeprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964418", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORDIHYDROGUAIARETIC ACID", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964418, "molecule_chembl_id": "CHEMBL52", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nordihydroguaiaretic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964118", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETARSONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964118, "molecule_chembl_id": "CHEMBL1330792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ACETARSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962416", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUSCIMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962416, "molecule_chembl_id": "CHEMBL273481", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "muscimol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1cc(O)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964122", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964122, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "felbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963564", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963564, "molecule_chembl_id": "CHEMBL2177161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.53", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.903", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958393", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958393, "molecule_chembl_id": "CHEMBL1235237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.45", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD004451"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958421", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958421, "molecule_chembl_id": "CHEMBL193228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.02", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119872"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958502", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOMOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958502, "molecule_chembl_id": "CHEMBL1232313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.33", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DOMOIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958821", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPECURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958821, "molecule_chembl_id": "CHEMBL1200722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "762.71", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pipecuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALOXONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958844, "molecule_chembl_id": "CHEMBL1718", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.84", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALOXONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959022", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEROXIRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959022, "molecule_chembl_id": "CHEMBL453863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.27", "alogp": "-2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Triglycidyl isocyanurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963236", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOLASTATIN-10", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963236, "molecule_chembl_id": "CHEMBL39541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "785.11", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Dolastin-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962860", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXOFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962860, "molecule_chembl_id": "CHEMBL1527608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOXOFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963648", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963648, "molecule_chembl_id": "CHEMBL3353597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.85", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RQ-00203078"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963412", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSORBIDE MONONITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963412, "molecule_chembl_id": "CHEMBL1311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "191.14", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE MONONITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ECADOTRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958659, "molecule_chembl_id": "CHEMBL1516410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.49", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RACECADOTRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.942", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963526", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALMOREXANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963526, "molecule_chembl_id": "CHEMBL455136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.57", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Almorexant (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.268", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964140", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GOSERELIN ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964140, "molecule_chembl_id": "CHEMBL1200501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1329.48", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Goserelin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958347", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958347, "molecule_chembl_id": "CHEMBL243644", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.33", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC1MTT7T"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "63.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964145", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964145, "molecule_chembl_id": "CHEMBL1390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Medroxyprogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.702", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829897", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAVESTINEL SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829897, "molecule_chembl_id": "CHEMBL419045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.19", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GAVESTINEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834784", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "33.02 \u00b1 7.96", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834784, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33020.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962190", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APRICITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962190, "molecule_chembl_id": "CHEMBL210651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.26", "alogp": "-0.59", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "apricitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961798", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961798, "molecule_chembl_id": "CHEMBL4303305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.81", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LH846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957203", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARIPIPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957203, "molecule_chembl_id": "CHEMBL1112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.39", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARIPIPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957208", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957208, "molecule_chembl_id": "CHEMBL249448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.46", "alogp": "1.03", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Isochlorogenic_acid C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961691", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961691, "molecule_chembl_id": "CHEMBL1402866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.29", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-26763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.854", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961812", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIPENAMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961812, "molecule_chembl_id": "CHEMBL310160", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.35", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bipenamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1Sc1ccccc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962018", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962018, "molecule_chembl_id": "CHEMBL257167", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPCA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957154", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957154, "molecule_chembl_id": "CHEMBL257167", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPCA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957440", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957440, "molecule_chembl_id": "CHEMBL1257423", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNF-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957446", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957446, "molecule_chembl_id": "CHEMBL2140173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.68", "alogp": "4.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KU-60019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957303", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALMOREXANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957303, "molecule_chembl_id": "CHEMBL455136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.57", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "almorexant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962199", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962199, "molecule_chembl_id": "CHEMBL570841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.25", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1NC(=O)/C(=C/c2ccc(O)cc2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961931", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENAZEPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961931, "molecule_chembl_id": "CHEMBL1694", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.96", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENAZEPRIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.888", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957555", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957555, "molecule_chembl_id": "CHEMBL398567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.48", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962002", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962002, "molecule_chembl_id": "CHEMBL3962672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.00", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD 0332991 (Palbociclib) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962165", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALPROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962165, "molecule_chembl_id": "CHEMBL93836", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valpromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957567", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957567, "molecule_chembl_id": "CHEMBL592652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK0660"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956958", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956958, "molecule_chembl_id": "CHEMBL1213082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC-87114"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956963", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSI-930", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956963, "molecule_chembl_id": "CHEMBL1614710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.45", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OSI-930"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956964", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956964, "molecule_chembl_id": "CHEMBL252387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.47", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-030"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956965", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956965, "molecule_chembl_id": "CHEMBL201945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.60", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 24 [PMID: 16451050]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956930", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OZAGREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956930, "molecule_chembl_id": "CHEMBL11662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OZAGREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957182", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957182, "molecule_chembl_id": "CHEMBL31965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.95", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Canertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962218", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSORBIDE DINITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962218, "molecule_chembl_id": "CHEMBL6622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE DINITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957007", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTACAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957007, "molecule_chembl_id": "CHEMBL129529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.45", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTACAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957012", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957012, "molecule_chembl_id": "CHEMBL1190711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.40", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY 61-3606"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962234", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOSMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962234, "molecule_chembl_id": "CHEMBL1088752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Losmapimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.924", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962105", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962105, "molecule_chembl_id": "CHEMBL155103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.21", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YZ9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "102.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc2ccc(O)cc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957030", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUNARIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957030, "molecule_chembl_id": "CHEMBL30008", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FLUNARIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962070", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIDOCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962070, "molecule_chembl_id": "CHEMBL541521", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.80", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIDOCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962250", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962250, "molecule_chembl_id": "CHEMBL1255750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.31", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QX-314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957038", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEREPHTHALIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957038, "molecule_chembl_id": "CHEMBL1374420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.13", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEREPHTHALIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BORTEZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957912, "molecule_chembl_id": "CHEMBL325041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "BORTEZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961778", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961778, "molecule_chembl_id": "CHEMBL1179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "133.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANYLCYPROMINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1C[C@H]1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956936", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OBETICHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956936, "molecule_chembl_id": "CHEMBL566315", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OBETICHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957176", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957176, "molecule_chembl_id": "CHEMBL4461515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "655.63", "alogp": "3.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK1016790A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962304", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962304, "molecule_chembl_id": "CHEMBL2374961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sobrepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.468", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC[C@@H](C(C)(C)O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957708", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLRESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957708, "molecule_chembl_id": "CHEMBL436", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957807", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957807, "molecule_chembl_id": "CHEMBL444449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.37", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-(4-phenoxybutoxy)psoralen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962270", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962270, "molecule_chembl_id": "CHEMBL1451838", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "181.32", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dicyclohexylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(NC2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957672", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOBUPIVACAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957672, "molecule_chembl_id": "CHEMBL1201193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.44", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levobupivacaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962290", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PENTYLENETETRAZOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962290, "molecule_chembl_id": "CHEMBL116943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.17", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PENTYLENETETRAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCc2nnnn2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957167", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-222200", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957167, "molecule_chembl_id": "CHEMBL10284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-222200"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962507", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIMIRALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962507, "molecule_chembl_id": "CHEMBL4084907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.39", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bimiralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956874", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956874, "molecule_chembl_id": "CHEMBL1593104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-102895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956885", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956885, "molecule_chembl_id": "CHEMBL3621966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.94", "alogp": "6.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957560", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957560, "molecule_chembl_id": "CHEMBL3408248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.48", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD8186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962528", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARGLABIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962528, "molecule_chembl_id": "CHEMBL2206431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Arglabin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962530, "molecule_chembl_id": "CHEMBL542620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.70", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABAPENTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955518", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955518, "molecule_chembl_id": "CHEMBL4565475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.66", "alogp": "3.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Proscillaridin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955541", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAMIPRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955541, "molecule_chembl_id": "CHEMBL1231530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betamipron\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957788", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMITAPIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957788, "molecule_chembl_id": "CHEMBL354541", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "693.73", "alogp": "8.38", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LOMITAPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955969", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955969, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-40.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960745", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMAPRIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960745, "molecule_chembl_id": "CHEMBL12344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "161.27", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimaprit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955887", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIPROLIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955887, "molecule_chembl_id": "CHEMBL855", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.40", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Triprolidine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958609", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METOPROLOL TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958609, "molecule_chembl_id": "CHEMBL2062335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "684.82", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOPROLOL TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958139", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958139, "molecule_chembl_id": "CHEMBL3770903", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.56", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SirReal2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957762", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957762, "molecule_chembl_id": "CHEMBL169046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.66", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "25-hydroxycholesterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957775", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957775, "molecule_chembl_id": "CHEMBL97771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Src kinase inhibitor I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957763", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957763, "molecule_chembl_id": "CHEMBL1144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.53", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAVASTATIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962299", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TELAGLENASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962299, "molecule_chembl_id": "CHEMBL3639788", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "571.59", "alogp": "4.55", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Telaglenastat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962366", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962366, "molecule_chembl_id": "CHEMBL43185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.34", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PIPERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964445", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964445, "molecule_chembl_id": "CHEMBL518800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CR8-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960252", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VELIFLAPON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960252, "molecule_chembl_id": "CHEMBL88712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.44", "alogp": "5.17", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "veliflapon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.617", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962390", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962390, "molecule_chembl_id": "CHEMBL2070953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.60", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960736", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMICINAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960736, "molecule_chembl_id": "CHEMBL489095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.56", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Camicinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960739", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEXIBULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960739, "molecule_chembl_id": "CHEMBL552212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.54", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CYT997"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957696", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957696, "molecule_chembl_id": "CHEMBL1231795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.74", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0638"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957767", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIZOCILPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957767, "molecule_chembl_id": "CHEMBL284237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dizocilpine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12N[C@H](Cc3ccccc31)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957770", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957770, "molecule_chembl_id": "CHEMBL4301645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.33", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-LSD1 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962372", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOTHIAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962372, "molecule_chembl_id": "CHEMBL828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.28", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOTHIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.833", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955534", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANDOLAPRIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955534, "molecule_chembl_id": "CHEMBL1519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trandolapril\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957787", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COMBRETASTATIN A4", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957787, "molecule_chembl_id": "CHEMBL67", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836143", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALOXEGOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836143, "molecule_chembl_id": "CHEMBL2219418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "651.79", "alogp": "1.86", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "naloxegol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831641", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBIDOXIME CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831641, "molecule_chembl_id": "CHEMBL291233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.21", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OBIDOXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836514", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCROSE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836514, "molecule_chembl_id": "CHEMBL253582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Sucrose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838670", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABBV-744", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838670, "molecule_chembl_id": "CHEMBL4297454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.56", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ABBV-744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831722", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINORELBINE TARTRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831722, "molecule_chembl_id": "CHEMBL538943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1079.12", "alogp": "4.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "VINORELBINE (DITARTRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831514", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831514, "molecule_chembl_id": "CHEMBL495498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.29", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MB05032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830755", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830755, "molecule_chembl_id": "CHEMBL352396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "604.75", "alogp": "3.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FR-139317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835105", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFABENZAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835105, "molecule_chembl_id": "CHEMBL1243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.32", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfabenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04858", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835024", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHINDRONE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835024, "molecule_chembl_id": "CHEMBL1201146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "norethindrone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06494", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835301", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEPEFRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835301, "molecule_chembl_id": "CHEMBL3989731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gepefrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cc1cccc(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830404", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830404, "molecule_chembl_id": "CHEMBL543846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.62", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRIDOXAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-24.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(C=O)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830599", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830599, "molecule_chembl_id": "CHEMBL134915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.46", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO 61-8048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829917", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERULENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829917, "molecule_chembl_id": "CHEMBL45627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CERULENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831420", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831420, "molecule_chembl_id": "CHEMBL511307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.38", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YS-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@H](Cc1cccc3ccccc13)NCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836293", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.182401631,0.023899107)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836293, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831142, "molecule_chembl_id": "CHEMBL232656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.90", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836312", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-ADRENALINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836312, "molecule_chembl_id": "CHEMBL42280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.21", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Adrenaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1051", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC[C@@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830939", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOPHOCARPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830939, "molecule_chembl_id": "CHEMBL377725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SOPHOCARPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834887", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834887, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831009", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831009, "molecule_chembl_id": "CHEMBL375596", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-412997"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)CN2CCC(c3ccccn3)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835238", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIDANOSINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835238, "molecule_chembl_id": "CHEMBL1460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.23", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Didanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834688", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.87 \u00b1 0.02", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.06", "bao_label": "organism-based format", "molecule_pref_name": "RALIMETINIB MESYLATE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834688, "molecule_chembl_id": "CHEMBL2364627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.75", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY2228820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "870.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830288", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALCETRAPIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830288, "molecule_chembl_id": "CHEMBL313006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.61", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "DALCETRAPIB (JTT-705)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830496", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830496, "molecule_chembl_id": "CHEMBL117225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.74", "alogp": "5.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UK-356618"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830695", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830695, "molecule_chembl_id": "CHEMBL154580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JAK3-INHIBITOR-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834901", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPHENE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834901, "molecule_chembl_id": "CHEMBL2355051", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clomiphene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835605", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835605, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "silver-sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831636", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRENOTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831636, "molecule_chembl_id": "CHEMBL485683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADRENOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMONOMETHOXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831659, "molecule_chembl_id": "CHEMBL462990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAMONOMETHOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827395", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TERCONAZOLE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827395, "molecule_chembl_id": "CHEMBL1306", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Terconazole Vetranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41460.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831559", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831559, "molecule_chembl_id": "CHEMBL504585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-135531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832614, "molecule_chembl_id": "CHEMBL1669669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.39", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPPTB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831563", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFANITRAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831563, "molecule_chembl_id": "CHEMBL493636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFANITRAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833403", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAPASTINEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833403, "molecule_chembl_id": "CHEMBL3544917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RAPASTINEL TRIFLUOROACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836395", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSULFAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836395, "molecule_chembl_id": "CHEMBL820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Busulfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.105", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836038", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836038, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1498", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831529", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831529, "molecule_chembl_id": "CHEMBL513181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "-1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-9187"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831532", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831532, "molecule_chembl_id": "CHEMBL509051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.67", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FERB-033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831535", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831535, "molecule_chembl_id": "CHEMBL480626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.33", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BHQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831800", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831800, "molecule_chembl_id": "CHEMBL2361504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.12", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRIDOXAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CN)c1O.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827818", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METERGOLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827818, "molecule_chembl_id": "CHEMBL19215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1165", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836346", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRODENAFIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836346, "molecule_chembl_id": "CHEMBL4297518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "531.68", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "mirodenafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1469", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836426", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYPHYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836426, "molecule_chembl_id": "CHEMBL1752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "-2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dyphylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2241", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836418", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836418, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pirfenidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832536", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOFLUPREDONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832536, "molecule_chembl_id": "CHEMBL1608183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.48", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOFLUPREDONE-ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831560", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831560, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ribavirin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831486", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREMILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831486, "molecule_chembl_id": "CHEMBL514800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APREMILAST (CC-10004)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831607", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831607, "molecule_chembl_id": "CHEMBL478284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.97", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SX-011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836483", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFIBRATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836483, "molecule_chembl_id": "CHEMBL565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.70", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clofibrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.007924", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831615", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831615, "molecule_chembl_id": "CHEMBL483059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.59", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DYNOLE-34-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CCCN(C)C)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831618", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831618, "molecule_chembl_id": "CHEMBL495841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.40", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-915275"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836498", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALIDOXIME", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836498, "molecule_chembl_id": "CHEMBL1420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.16", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pralidoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccccc1C=NO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831626", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831626, "molecule_chembl_id": "CHEMBL509846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1085.16", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "PLICAMYCIN (MITHRAMYCIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830109", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESVERATROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830109, "molecule_chembl_id": "CHEMBL165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Resveratrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835248", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOTHIEPIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835248, "molecule_chembl_id": "CHEMBL1492500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.45", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dosulepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2581", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830379", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESVENLAFAXINE SUCCINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830379, "molecule_chembl_id": "CHEMBL1201728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.47", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESVENLAFAXINE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836230", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMACETAXINE MEPESUCCINATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836230, "molecule_chembl_id": "CHEMBL46286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.63", "alogp": "2.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "homoharringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831369", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALFURAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831369, "molecule_chembl_id": "CHEMBL490665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.03", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NALFURAFINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836268", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANADREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836268, "molecule_chembl_id": "CHEMBL1037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.28", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "guanadrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1079", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCC1COC2(CCCCC2)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831400", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEDUNIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831400, "molecule_chembl_id": "CHEMBL465226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.57", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GEDUNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831118", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISPINESIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831118, "molecule_chembl_id": "CHEMBL228814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "5.59", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ISPINESIB (SB-715992)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836274", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERIDIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836274, "molecule_chembl_id": "CHEMBL449317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "hesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831406", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831406, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831292", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831292, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NILOTINIB (AMN-107)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836164", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPECURONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836164, "molecule_chembl_id": "CHEMBL1201206", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.91", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pipecuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-42", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830866, "molecule_chembl_id": "CHEMBL191482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AR-42 (HDAC-42)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830878", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGUANIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830878, "molecule_chembl_id": "CHEMBL1201059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.20", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLOROGUANIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836240", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOCTAFENINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836240, "molecule_chembl_id": "CHEMBL2105075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "floctafenine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3441", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836128", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MISOPROSTOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836128, "molecule_chembl_id": "CHEMBL606", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.54", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Misoprostol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07952", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833834", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833834, "molecule_chembl_id": "CHEMBL2105615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.92", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "QUINACRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "63.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833835", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOCLIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833835, "molecule_chembl_id": "CHEMBL121932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOCLIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC1CN2CCC1CC2)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833420", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIGATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833420, "molecule_chembl_id": "CHEMBL3545311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.11", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BRIGATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829845", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRINIXIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829845, "molecule_chembl_id": "CHEMBL295416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.81", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRINIXIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838700", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838700, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827398", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827398, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21210.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838708", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838708, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "275.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838709", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAPTOPRIL", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838709, "molecule_chembl_id": "CHEMBL1560", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "217.29", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Captopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "271.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839060", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839060, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831917", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITOPERTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831917, "molecule_chembl_id": "CHEMBL1171829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.46", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "BITOPERTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827415", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827415, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839065", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ZOTATIFIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839065, "molecule_chembl_id": "CHEMBL4303782", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "487.56", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Zotatifin (eFT226)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.291", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827420", "_score": 6.4079394, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827420, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1200000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838878", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838878, "molecule_chembl_id": "CHEMBL3746912", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "175.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836560", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.78005796,0.560746873)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836560, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6704", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831931", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831931, "molecule_chembl_id": "CHEMBL1240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.40", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPANTHELINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831275", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831275, "molecule_chembl_id": "CHEMBL251997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.84", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-MECCPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827425", "_score": 6.4079394, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827425, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1100000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827426", "_score": 6.4079394, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827426, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1050000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830107", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830107, "molecule_chembl_id": "CHEMBL543336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.91", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VORELOXIN (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829846", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-DESMETHYLCLOZAPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829846, "molecule_chembl_id": "CHEMBL845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.80", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DESMETHYLCLOZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960773", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960773, "molecule_chembl_id": "CHEMBL3092537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME-0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.956", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962661", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OPICAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962661, "molecule_chembl_id": "CHEMBL1089318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.17", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Opicapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962664", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962664, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958065", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958065, "molecule_chembl_id": "CHEMBL1561725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-626122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NC2=NCCC2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958267", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958267, "molecule_chembl_id": "CHEMBL3183398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.64", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "20-HYDROXYECDYSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960038", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICYL ALCOHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960038, "molecule_chembl_id": "CHEMBL280802", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYL ALCOHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960047", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960047, "molecule_chembl_id": "CHEMBL56331", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.44", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-100329"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.074", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957352", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLX-4720", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957352, "molecule_chembl_id": "CHEMBL1230020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.83", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PLX-4720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957301", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957301, "molecule_chembl_id": "CHEMBL2017291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.45", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BET151"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957354", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957354, "molecule_chembl_id": "CHEMBL4303729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.54", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX8394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956109", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956109, "molecule_chembl_id": "CHEMBL2180727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.57", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AGI-5198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960894", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960894, "molecule_chembl_id": "CHEMBL213907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.63", "alogp": "0.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thiocolchicoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960900", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960900, "molecule_chembl_id": "CHEMBL4303359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.00", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Belnacasan (VX-765)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.433", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959053", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CETIRIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959053, "molecule_chembl_id": "CHEMBL1607273", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CETIRIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.185", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956703", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956703, "molecule_chembl_id": "CHEMBL29097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.09", "alogp": "8.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-886"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958925", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFINACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958925, "molecule_chembl_id": "CHEMBL2103877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Efinaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960890", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960890, "molecule_chembl_id": "CHEMBL4303431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.72", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956116", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDACATEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956116, "molecule_chembl_id": "CHEMBL1095777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indacaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960896", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVRIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960896, "molecule_chembl_id": "CHEMBL2106042", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "667.21", "alogp": "12.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "avridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.236", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963391", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963391, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963275", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963275, "molecule_chembl_id": "CHEMBL1555989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.56", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acetyl-farnesyl-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955613", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955613, "molecule_chembl_id": "CHEMBL344159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolvaptan\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLOROPROCAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955614, "molecule_chembl_id": "CHEMBL1179047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.76", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroprocaine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960389", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFALONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960389, "molecule_chembl_id": "CHEMBL2105567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.52", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFALONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955616", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LERISETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955616, "molecule_chembl_id": "CHEMBL56900", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.39", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lerisetron\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960394", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPOBROMAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960394, "molecule_chembl_id": "CHEMBL1585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPOBROMAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-87.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCBr)N1CCN(C(=O)CCBr)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960937", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERAQUINE TETRAPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960937, "molecule_chembl_id": "CHEMBL1652442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "927.50", "alogp": "5.42", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "1;3-Bis[4-(7-chloro-4-quinolinyl)-1-piperazinyl]propane tetraphosphate tetrahydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.899", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960399", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFDINIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960399, "molecule_chembl_id": "CHEMBL927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.42", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFDINIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963513", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963513, "molecule_chembl_id": "CHEMBL134859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-89843"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5606", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(N3CCCC3)nc(N3CCCC3)nc2n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963448", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSUVASTATIN CALCIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963448, "molecule_chembl_id": "CHEMBL1744447", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1001.15", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROSUVASTATIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956021", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MELEVODOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956021, "molecule_chembl_id": "CHEMBL1328898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-Dopa methyl ester hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154607", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154607, "molecule_chembl_id": "CHEMBL3752910", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "503.49", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NVP-BHG712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150107", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENHYDRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150107, "molecule_chembl_id": "CHEMBL1620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENHYDRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150109", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150109, "molecule_chembl_id": "CHEMBL7154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.29", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150373", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MUPIROCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150373, "molecule_chembl_id": "CHEMBL719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.63", "alogp": "2.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mupirocin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961010", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961010, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dutasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08731", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENYLMETHYLSULFONYLFLUORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961184, "molecule_chembl_id": "CHEMBL190503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PMSF (Phenylmethylsulfonyl Fluoride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.147", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(F)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956207", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARDAMOMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956207, "molecule_chembl_id": "CHEMBL378104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.28", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cardamonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961591", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSIMERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961591, "molecule_chembl_id": "CHEMBL3353410", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.62", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Osimertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956442", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOCAPROIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956442, "molecule_chembl_id": "CHEMBL1046", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.18", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6-aminocaproic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959571", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959571, "molecule_chembl_id": "CHEMBL394527", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.89", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPi-688"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.124", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@@H]1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959574", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959574, "molecule_chembl_id": "CHEMBL4303580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "831.98", "alogp": "-1.84", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Eptifibatide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCCC1NC(=O)CCSSCC(C(N)=O)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)CNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955762", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955762, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flumazenil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960264", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960264, "molecule_chembl_id": "CHEMBL1417849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.57", "alogp": "-0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acivicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)[C@@H]1CC(Cl)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959922", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NONIVAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959922, "molecule_chembl_id": "CHEMBL75124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NONIVAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.409", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959926", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959926, "molecule_chembl_id": "CHEMBL1436543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenovin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960376", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960376, "molecule_chembl_id": "CHEMBL255683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.74", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(20S)-Protopanaxatriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957388", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957388, "molecule_chembl_id": "CHEMBL3421968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962412", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962412, "molecule_chembl_id": "CHEMBL1790039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.65", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Brilliant Green"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963725", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963725, "molecule_chembl_id": "CHEMBL1728279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VINCAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957399", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957399, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU 7441"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961998", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHIONAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961998, "molecule_chembl_id": "CHEMBL1441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.25", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHIONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957731", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOGLIPTIN BENZOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957731, "molecule_chembl_id": "CHEMBL227529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.52", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963105", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963105, "molecule_chembl_id": "CHEMBL1200728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "95.53", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959404", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMADACYCLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959404, "molecule_chembl_id": "CHEMBL1689772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.66", "alogp": "1.32", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Omadacycline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959706", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959706, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964225", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORANIL", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964225, "molecule_chembl_id": "CHEMBL192627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.88", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORANIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964098", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964098, "molecule_chembl_id": "CHEMBL153057", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-165041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959640", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NISOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959640, "molecule_chembl_id": "CHEMBL1256695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.82", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nisoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccccc1OC)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964304", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.66", "bao_label": "assay format", "molecule_pref_name": "HEMATOXYLIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964304, "molecule_chembl_id": "CHEMBL477197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hematoxylin (Hydroxybrazilin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "220.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959955", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959955, "molecule_chembl_id": "CHEMBL1591531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.67", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bisindolylmaleimide-ix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963850", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963850, "molecule_chembl_id": "CHEMBL2431120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962130", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962130, "molecule_chembl_id": "CHEMBL1334465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.38", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-408124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962512", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "P-TOLUENESULFONAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962512, "molecule_chembl_id": "CHEMBL574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.22", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "para-toluenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960601", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "R-406", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960601, "molecule_chembl_id": "CHEMBL475251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.46", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R406(free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.712", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960649", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960649, "molecule_chembl_id": "CHEMBL4303683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "817.79", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BIO-5192"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(C)[C@@H](CC(C)C)C(=O)NCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955888", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955888, "molecule_chembl_id": "CHEMBL1723412", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Piricapiron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960314", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960314, "molecule_chembl_id": "CHEMBL1628564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.46", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2365109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(-c2ccc3c(c2)OCO3)cc1C(C)(C)C)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963738, "molecule_chembl_id": "CHEMBL525239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.25", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zeatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\CNc1ncnc2[nH]cnc12)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955870", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BLONANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955870, "molecule_chembl_id": "CHEMBL178803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.51", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Blonanserin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-222200", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959866, "molecule_chembl_id": "CHEMBL10284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-222200"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959231", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMEFANTRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959231, "molecule_chembl_id": "CHEMBL38827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.95", "alogp": "9.15", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lumefantrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959883", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIPROFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959883, "molecule_chembl_id": "CHEMBL8", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIPROFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BARDOXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960614, "molecule_chembl_id": "CHEMBL1093059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.67", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Bardoxolone; RTA 401"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960620", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960620, "molecule_chembl_id": "CHEMBL66114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.11", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-39604"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959921", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTANOIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959921, "molecule_chembl_id": "CHEMBL14227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "88.11", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sodium butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964228", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "<", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964228, "molecule_chembl_id": "CHEMBL1271764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.65", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119792"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1230.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964107", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEPOTASTINE BESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964107, "molecule_chembl_id": "CHEMBL1201759", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.07", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bepotastine Besilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.289", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964388", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APOMORPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964388, "molecule_chembl_id": "CHEMBL1616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APOMORPHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960605", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFACLOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960605, "molecule_chembl_id": "CHEMBL680", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.81", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFACLOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "74.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955826", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955826, "molecule_chembl_id": "CHEMBL35482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-98059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(=O)c3ccccc3o2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964175", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964175, "molecule_chembl_id": "CHEMBL4303212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.95", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "LITHIUM CITRATE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.117", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li].[Li].[Li]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959684", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959684, "molecule_chembl_id": "CHEMBL442016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Adarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-259.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959692", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959692, "molecule_chembl_id": "CHEMBL494772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.38", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)c(C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960266, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960267", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPH", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960267, "molecule_chembl_id": "CHEMBL268868", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.36", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-52411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959697", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATN-161", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959697, "molecule_chembl_id": "CHEMBL4297456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "597.66", "alogp": "-4.81", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ATN-161 (trifluoroacetate salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964209", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.34", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964209, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4530.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957364", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957364, "molecule_chembl_id": "CHEMBL3113165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.53", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964210", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.88", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964210, "molecule_chembl_id": "CHEMBL3665060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.47", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKC-3946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959617", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959617, "molecule_chembl_id": "CHEMBL2013230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.59", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF11207 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N(CCC2CCCN2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149716", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RONIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149716, "molecule_chembl_id": "CHEMBL290299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.15", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c([N+](=O)[O-])cnc1COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150154", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METACETAMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150154, "molecule_chembl_id": "CHEMBL9419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METACETAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148505", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148505, "molecule_chembl_id": "CHEMBL356703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "90.15", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-METHYLISOTHIOUREA SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149596", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRYPTOTANSHINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149596, "molecule_chembl_id": "CHEMBL187460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.37", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cryptotanshinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149966", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149966, "molecule_chembl_id": "CHEMBL71921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Seratrodast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154105", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154105, "molecule_chembl_id": "CHEMBL294803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.67", "alogp": "6.49", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-29794 oxalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149678", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149678, "molecule_chembl_id": "CHEMBL376103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@H](c1ccccc1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147524", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COLURACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147524, "molecule_chembl_id": "CHEMBL37935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coluracetam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147202", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147202, "molecule_chembl_id": "CHEMBL1433455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-21009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)c1cc2c(OC[C@@H](O)CNC(C)(C)C)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152043", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARENICLINE TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152043, "molecule_chembl_id": "CHEMBL2062259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.35", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Varenicline tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152876", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152876, "molecule_chembl_id": "CHEMBL3338326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emoxipin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148270", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148270, "molecule_chembl_id": "CHEMBL164603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(2;8-diisopropyl-3-thioxo-2;3-dihydro-4H-1;4-benzoxazin-4-yl)acetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c1OC(C(C)C)C(=S)N2CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148654", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRENOGEST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148654, "molecule_chembl_id": "CHEMBL1315492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTRENOGEST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150836", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIPATRIGINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150836, "molecule_chembl_id": "CHEMBL28854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.69", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sipatrigine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149954", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SKF-38393", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149954, "molecule_chembl_id": "CHEMBL286080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-38393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)C(c1ccccc1)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148261", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYROSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148261, "molecule_chembl_id": "CHEMBL925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DL-Tyrosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEZACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153159, "molecule_chembl_id": "CHEMBL3544914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.50", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TEZACAFTOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148666", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERLOSAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148666, "molecule_chembl_id": "CHEMBL58323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.30", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDALOPIRDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151685, "molecule_chembl_id": "CHEMBL3286580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.38", "alogp": "4.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Idalopirdine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148659, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethynyl Estradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148474", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBARIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148474, "molecule_chembl_id": "CHEMBL46917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148251", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALTOBULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148251, "molecule_chembl_id": "CHEMBL182319", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.66", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taltobulin (trifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153171, "molecule_chembl_id": "CHEMBL43184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.24", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153791", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153791, "molecule_chembl_id": "CHEMBL90882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-CMDO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148383", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREXPIPRAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148383, "molecule_chembl_id": "CHEMBL2105760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.58", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brexpiprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148499", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148499, "molecule_chembl_id": "CHEMBL1319514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trolox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148415", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIPRILOSE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148415, "molecule_chembl_id": "CHEMBL1256946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.83", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amiprilose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCO[C@H]1[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@H]12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148509", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148509, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Psoralen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148380", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINPIROLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148380, "molecule_chembl_id": "CHEMBL1256574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quinpirol-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152442", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152442, "molecule_chembl_id": "CHEMBL3402762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.58", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tepotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154550", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154550, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153377", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153377, "molecule_chembl_id": "CHEMBL1360505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.28", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146087", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146087, "molecule_chembl_id": "CHEMBL90593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRASTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150535", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINOSPIRONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150535, "molecule_chembl_id": "CHEMBL1487115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.44", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-73005EF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148468", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148468, "molecule_chembl_id": "CHEMBL442329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.16", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Luminol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c(=O)[nH][nH]c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147269", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147269, "molecule_chembl_id": "CHEMBL650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149686", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149686, "molecule_chembl_id": "CHEMBL3348846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.58", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD4547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@H](C)C4)cc3)n[nH]2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151480", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-1530", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151480, "molecule_chembl_id": "CHEMBL1980391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.79", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149923", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DINITOLMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149923, "molecule_chembl_id": "CHEMBL472565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.16", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DINITOLMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146991", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146991, "molecule_chembl_id": "CHEMBL2069623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.82", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4800567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154309", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.71", "bao_label": "organism-based format", "molecule_pref_name": "ROLAPITANT", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154309, "molecule_chembl_id": "CHEMBL3707331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.48", "alogp": "5.73", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "rolapitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19630.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154580", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154580, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.92", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961567", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUPARLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961567, "molecule_chembl_id": "CHEMBL2017974", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BKM120 (NVP-BKM120)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.139", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961579", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORELGESTROMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961579, "molecule_chembl_id": "CHEMBL1200807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.47", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norgestimate metabolite Norelgestromin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961490", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELTROMBOPAG OLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961490, "molecule_chembl_id": "CHEMBL3989691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.64", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eltrombopag olamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961492", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GR-79236", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961492, "molecule_chembl_id": "CHEMBL2163568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.36", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-79236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153797", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153797, "molecule_chembl_id": "CHEMBL4303632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.67", "alogp": "2.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Peruvoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1C(O)[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)OC(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961350", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961350, "molecule_chembl_id": "CHEMBL143360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.22", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1047"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALROCEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961153, "molecule_chembl_id": "CHEMBL471638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valrocemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956575", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956575, "molecule_chembl_id": "CHEMBL3337894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.51", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961212", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961212, "molecule_chembl_id": "CHEMBL1518572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.44", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956623", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956623, "molecule_chembl_id": "CHEMBL305195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.48", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 25-6981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153533", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153533, "molecule_chembl_id": "CHEMBL4077071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.50", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FN-1501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149235", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149235, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMFIBROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149238", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149238, "molecule_chembl_id": "CHEMBL3289391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPENZOLATE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956600", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956600, "molecule_chembl_id": "CHEMBL179945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.51", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN 27219"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152779", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLYTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152779, "molecule_chembl_id": "CHEMBL1587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.89", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "polythiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152139", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152139, "molecule_chembl_id": "CHEMBL389621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146357", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146357, "molecule_chembl_id": "CHEMBL4579631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NORETHINDRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146397", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146397, "molecule_chembl_id": "CHEMBL262746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1019.26", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Octreotide (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150997", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-ADENOSYLHOMOCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150997, "molecule_chembl_id": "CHEMBL418052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.42", "alogp": "-1.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S-ADENOSYLHOMOCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154089", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154089, "molecule_chembl_id": "CHEMBL4562316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "867.13", "alogp": "6.15", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Nanchangmycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152585", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESIQUIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152585, "molecule_chembl_id": "CHEMBL383322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Resiquimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151032", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOROMETHOLONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151032, "molecule_chembl_id": "CHEMBL1201064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.51", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluorometholone Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147087", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147087, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "baicalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150597", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORBIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150597, "molecule_chembl_id": "CHEMBL295433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Orbifloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152885", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152885, "molecule_chembl_id": "CHEMBL3414622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152049", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETRIXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152049, "molecule_chembl_id": "CHEMBL512351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.91", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETRIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151719", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETARSONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151719, "molecule_chembl_id": "CHEMBL1330792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ACETARSOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152366", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152366, "molecule_chembl_id": "CHEMBL511749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.50", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152991", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152991, "molecule_chembl_id": "CHEMBL489156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152735", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALACYCLOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152735, "molecule_chembl_id": "CHEMBL1349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "valacyclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148007", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148007, "molecule_chembl_id": "CHEMBL261777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "227.29", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152525", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLEDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152525, "molecule_chembl_id": "CHEMBL924", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.09", "alogp": "-1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zoledronate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148026", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148026, "molecule_chembl_id": "CHEMBL7064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrazolanthrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2n[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152930", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIANIDANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152930, "molecule_chembl_id": "CHEMBL311498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIANIDANOL [+-catechin]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152547", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152547, "molecule_chembl_id": "CHEMBL399251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.48", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Trityl-L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145678", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145678, "molecule_chembl_id": "CHEMBL161500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.38", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CI-923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(C)CN1CCc2c(c(=O)oc3ccccc23)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153687", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HELENINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153687, "molecule_chembl_id": "CHEMBL136356", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.32", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alantolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150878", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150878, "molecule_chembl_id": "CHEMBL4303331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.38", "alogp": "0.19", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Myricitrin (Myricitrine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152865", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152865, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vandetanib (ZD6474)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147866, "molecule_chembl_id": "CHEMBL1514634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.57", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ambroxol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152773", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTAMIDINE ISETHIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152773, "molecule_chembl_id": "CHEMBL361506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "592.69", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MMV000062"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149696", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149696, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153034", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOMASTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153034, "molecule_chembl_id": "CHEMBL19611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ilomastat (GM6001; Galardin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146324", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146324, "molecule_chembl_id": "CHEMBL1671971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.37", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E3 ligase Ligand 5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150280", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150280, "molecule_chembl_id": "CHEMBL190677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.25", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benzoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccc1)C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147882", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-255283", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147882, "molecule_chembl_id": "CHEMBL15766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.46", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY255283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147875", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147875, "molecule_chembl_id": "CHEMBL20562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.17", "alogp": "0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)S/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149602", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACALABRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149602, "molecule_chembl_id": "CHEMBL3707348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.52", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACALABRUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148660", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROXYFAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148660, "molecule_chembl_id": "CHEMBL19173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.28", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "proxyfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(COCCCc2c[nH]cn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154528", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154528, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaguanine-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148459", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148459, "molecule_chembl_id": "CHEMBL4303412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.65", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VCH-916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N(c2cc(C3=CCCCC3)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153315", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-960", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153315, "molecule_chembl_id": "CHEMBL2392545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.61", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152982", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMELOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152982, "molecule_chembl_id": "CHEMBL1078178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Momelotinib (CYT387)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOPYRUVATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147186, "molecule_chembl_id": "CHEMBL177837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.96", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Bromopyruvic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)CBr", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153396", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153396, "molecule_chembl_id": "CHEMBL3182074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Buparvaquone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153318", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153318, "molecule_chembl_id": "CHEMBL1970071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.45", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM 5541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147206", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALICATIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147206, "molecule_chembl_id": "CHEMBL371064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.55", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BALICATIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147311", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMESULIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147311, "molecule_chembl_id": "CHEMBL56367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIMESULIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149964", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFINACONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149964, "molecule_chembl_id": "CHEMBL2103877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Efinaconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149306", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149306, "molecule_chembl_id": "CHEMBL1564377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.12", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-966-(S)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CCN(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147454, "molecule_chembl_id": "CHEMBL4303341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.93", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ZINC UNDECYLENATE [4mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCCC=C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148463", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACECAINIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148463, "molecule_chembl_id": "CHEMBL1256805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.83", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACECAINIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148656", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148656, "molecule_chembl_id": "CHEMBL1398529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV1580488"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151836", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRETOMANID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151836, "molecule_chembl_id": "CHEMBL227875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.26", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PA-824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146103", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146103, "molecule_chembl_id": "CHEMBL1082832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.30", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-K-8644-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149159, "molecule_chembl_id": "CHEMBL1445833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHISTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152881", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRAMUSTINE PHOSPHATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152881, "molecule_chembl_id": "CHEMBL1200721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.35", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Estramustine Phosphate\u00c2\u00b7Na"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152886", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIVOZANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152886, "molecule_chembl_id": "CHEMBL1289494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.87", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tivozanib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153802", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVASIMIBE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153802, "molecule_chembl_id": "CHEMBL101309", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.73", "alogp": "7.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Avasimibe (CI-1011)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150643", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150643, "molecule_chembl_id": "CHEMBL8", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIPROFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150644", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150644, "molecule_chembl_id": "CHEMBL1256759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146339", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146339, "molecule_chembl_id": "CHEMBL4303280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.16", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fluorocholine chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CF)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146343", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELPHINIDIN CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146343, "molecule_chembl_id": "CHEMBL590878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.70", "alogp": "2.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "delphinidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150436", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150436, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150653", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150653, "molecule_chembl_id": "CHEMBL128772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-carboxy-4-hydroxyphenylglycine-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151844, "molecule_chembl_id": "CHEMBL4303382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.00", "alogp": "3.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CZC-54252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145940", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARISOPRODOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145940, "molecule_chembl_id": "CHEMBL1233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.33", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARISOPRODOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)(COC(N)=O)COC(=O)NC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145946", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145946, "molecule_chembl_id": "CHEMBL301717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ST-91"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961241", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961241, "molecule_chembl_id": "CHEMBL4204703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.39", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLV-320"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.152", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956268", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956268, "molecule_chembl_id": "CHEMBL3960662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.57", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD0156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959003", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959003, "molecule_chembl_id": "CHEMBL13786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "573.67", "alogp": "-0.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Met-enkephalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963612", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963612, "molecule_chembl_id": "CHEMBL3342358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.91", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4237", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958026", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958026, "molecule_chembl_id": "CHEMBL1586985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.43", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-627497"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOSERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963614, "molecule_chembl_id": "CHEMBL771", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "102.09", "alogp": "-1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOSERINE (D)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CONC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959012", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959012, "molecule_chembl_id": "CHEMBL1201103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.72", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(C(O)C(C)N)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959013", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPHENESIN CARBAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959013, "molecule_chembl_id": "CHEMBL607710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.66", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chlorphensin-carbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.103", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(O)COc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962328", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962328, "molecule_chembl_id": "CHEMBL577673", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.99", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clobetasone-butyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.924", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962461", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESOMEPRAZOLE MAGNESIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962461, "molecule_chembl_id": "CHEMBL2146133", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "713.14", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEXIUM (esomeprazole magnesium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957863", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957863, "molecule_chembl_id": "CHEMBL288114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "170.12", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958890", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958890, "molecule_chembl_id": "CHEMBL1594103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.23", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MTPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.874", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)(C(=O)O)c1ccc(-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957959", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957959, "molecule_chembl_id": "CHEMBL45152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.29", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086290"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2sn1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958895", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958895, "molecule_chembl_id": "CHEMBL1534501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETRAHYDROZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCC[C@@H]2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963503", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963503, "molecule_chembl_id": "CHEMBL4303615", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.66", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ercalcitriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963511", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963511, "molecule_chembl_id": "CHEMBL4303636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zopolrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1255", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C=C1NN(Cc2nc3cc(C(F)(F)F)ccc3s2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962956", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMETRIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962956, "molecule_chembl_id": "CHEMBL38938", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "141.13", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETRIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.611", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958740", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MESORIDAZINE BESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958740, "molecule_chembl_id": "CHEMBL1201052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "544.76", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "mesoridazine besylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.843", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154118", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UPROSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154118, "molecule_chembl_id": "CHEMBL3137336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.25", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "UPROSERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150134", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUCOVORIN CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150134, "molecule_chembl_id": "CHEMBL1201138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.51", "alogp": "-0.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LEUCOVORIN CALCIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149754", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149754, "molecule_chembl_id": "CHEMBL262103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.47", "alogp": "-0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CA-074 methyl ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154172", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154172, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154258", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDARUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154258, "molecule_chembl_id": "CHEMBL1200976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "533.96", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idarubicin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149777", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLTESTOSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149777, "molecule_chembl_id": "CHEMBL1395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "17alpha -Methyltestosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147729", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENOXINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147729, "molecule_chembl_id": "CHEMBL1200654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.88", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENOXINATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153808", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-369796", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153808, "molecule_chembl_id": "CHEMBL147806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "N-tert-Butylisoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147744", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147744, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147670", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETADEX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147670, "molecule_chembl_id": "CHEMBL415690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1134.99", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "Beta-Cyclodextrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154282", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.15", "bao_label": "organism-based format", "molecule_pref_name": "NELFINAVIR MESYLATE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154282, "molecule_chembl_id": "CHEMBL1205", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.90", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Nelfinavir Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7080.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149301", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149301, "molecule_chembl_id": "CHEMBL44674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.29", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxotremorine-M"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC#CCN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149780", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRIDYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149780, "molecule_chembl_id": "CHEMBL39879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.19", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPYRIDYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccccn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149698", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149698, "molecule_chembl_id": "CHEMBL1404407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.01", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOMERIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154240", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154240, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eltrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963586", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRUVATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963586, "molecule_chembl_id": "CHEMBL1162144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "88.06", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-oxopropanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963597", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPERACILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963597, "molecule_chembl_id": "CHEMBL1200820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.55", "alogp": "-0.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIPERACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963599", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963599, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dofetilide (Tikosyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963604", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963604, "molecule_chembl_id": "CHEMBL4303382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.00", "alogp": "3.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CZC-54252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958010", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958010, "molecule_chembl_id": "CHEMBL3608703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.74", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-614448"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Nc2ncnc3sccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963427", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLMETIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963427, "molecule_chembl_id": "CHEMBL1200613", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.27", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLMETIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958036", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958036, "molecule_chembl_id": "CHEMBL1603529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.43", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-352257"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC(=O)NC2CCCC(C)C2C)n1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958685, "molecule_chembl_id": "CHEMBL4303503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oridonin (Isodonol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958601", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOTIQUIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958601, "molecule_chembl_id": "CHEMBL2107405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.31", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isotiquimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.803", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1CCCC2C(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149134", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149134, "molecule_chembl_id": "CHEMBL116159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Propylbenzoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149135", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149135, "molecule_chembl_id": "CHEMBL573107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-D1870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154593", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154593, "molecule_chembl_id": "CHEMBL10835", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "350.03", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.31", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150095", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150095, "molecule_chembl_id": "CHEMBL858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.24", "alogp": "-2.07", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Edetic_acid\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150104", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150104, "molecule_chembl_id": "CHEMBL4303640", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MR-948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCc1ccc(OCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147784", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147784, "molecule_chembl_id": "CHEMBL571858", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.42", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY 208466 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152289", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152289, "molecule_chembl_id": "CHEMBL1709719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.27", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKA 31"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ccc3ccccc32)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147787", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147787, "molecule_chembl_id": "CHEMBL4303283", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP 231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccc(NC(=O)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2s1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152293", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FADROZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152293, "molecule_chembl_id": "CHEMBL9298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FADROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152294", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAVARIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152294, "molecule_chembl_id": "CHEMBL216981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NAVARIXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154504", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154504, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1920.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150349", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150349, "molecule_chembl_id": "CHEMBL1522941", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.26", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-359195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(Nc2ccc(F)cc2)cc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154070", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDICOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154070, "molecule_chembl_id": "CHEMBL3674570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "JNJ-40346527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150611", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150611, "molecule_chembl_id": "CHEMBL2431867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MN-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146495", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146495, "molecule_chembl_id": "CHEMBL1742126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.74", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMEZANONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CCS(=O)(=O)[C@@H]1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146498", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-201724", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146498, "molecule_chembl_id": "CHEMBL18701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-20-1724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(CC2CNC(=O)N2)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150617", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALONOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150617, "molecule_chembl_id": "CHEMBL1720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.88", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Palonosetron HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146915", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146915, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "APITOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151418", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151418, "molecule_chembl_id": "CHEMBL31741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-701324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152393", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152393, "molecule_chembl_id": "CHEMBL226646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.82", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146936", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146936, "molecule_chembl_id": "CHEMBL145725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.86", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-16566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153127, "molecule_chembl_id": "CHEMBL4303612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Anacetrapib (MK-0859)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151441", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KPT-9274", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151441, "molecule_chembl_id": "CHEMBL4297467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.64", "alogp": "7.08", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "KPT-9274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4ccc(F)cc4)c3o2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152613", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOCTAFENINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152613, "molecule_chembl_id": "CHEMBL2105075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "floctafenine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146941", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOGUISTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146941, "molecule_chembl_id": "CHEMBL146980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.41", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moguisteine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152618", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152618, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153759", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEPANTRONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153759, "molecule_chembl_id": "CHEMBL2105734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.30", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "YM-155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153232", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEFERASIROX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153232, "molecule_chembl_id": "CHEMBL550348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferasirox\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148845", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148845, "molecule_chembl_id": "CHEMBL4303673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.26", "alogp": "0.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-hydroxy-beta-methylbutyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)O.CC(C)(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153487", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRACINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153487, "molecule_chembl_id": "CHEMBL1851943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.49", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB939 (Pracinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANGAFODIPIR TRISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148990, "molecule_chembl_id": "CHEMBL2096651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "755.31", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Mangafodipir (trisodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148851", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRIDAMOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148851, "molecule_chembl_id": "CHEMBL932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.64", "alogp": "-0.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DIPYRIDAMOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148997", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALNOCTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148997, "molecule_chembl_id": "CHEMBL1075733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "valnoctamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(CC)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149448", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRIZOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149448, "molecule_chembl_id": "CHEMBL1736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.94", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Metrizoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149461", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149461, "molecule_chembl_id": "CHEMBL3561076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.26", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMETAZIDINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149464", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149464, "molecule_chembl_id": "CHEMBL1559419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-218040"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149465", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-INDOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149465, "molecule_chembl_id": "CHEMBL264931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149466", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149466, "molecule_chembl_id": "CHEMBL1605691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.13", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML318 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(c1ccc(Cl)cc1)c1cccc(Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149467", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRFENIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149467, "molecule_chembl_id": "CHEMBL1256391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.23", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pirfenidone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149470", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149470, "molecule_chembl_id": "CHEMBL4303172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "EUK 134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153982", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153982, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149480", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SESAMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149480, "molecule_chembl_id": "CHEMBL252915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sesamin (Fagarol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149484", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WORTMANNIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149484, "molecule_chembl_id": "CHEMBL428496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Wortmannin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153990, "molecule_chembl_id": "CHEMBL4303661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.82", "alogp": "9.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC1NDSS5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153848", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREPITANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153848, "molecule_chembl_id": "CHEMBL1471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "APREPITANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150241", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150241, "molecule_chembl_id": "CHEMBL367788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.14", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Didox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151126", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALINOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151126, "molecule_chembl_id": "CHEMBL152067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.50", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "talinolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961217", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961217, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Delavirdine (mesylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956443", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOVOBIOCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956443, "molecule_chembl_id": "CHEMBL36506", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "612.63", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NOVOBIOCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961227", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-365260", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961227, "molecule_chembl_id": "CHEMBL9387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-365260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956497", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOXSALEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956497, "molecule_chembl_id": "CHEMBL416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2occc2cc2ccc(=O)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961269", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXAMORELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961269, "molecule_chembl_id": "CHEMBL108335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "887.06", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "examorelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961328", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PU-H71", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961328, "molecule_chembl_id": "CHEMBL200102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.38", "alogp": "3.28", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "PU-H71"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956257", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956257, "molecule_chembl_id": "CHEMBL4455382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.43", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-1347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Cn1cc(-c2ccc(-c3cncc4ccccc34)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961035", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961035, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956266, "molecule_chembl_id": "CHEMBL1772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-hydroxyphenylacetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961314", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOFACITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961314, "molecule_chembl_id": "CHEMBL221959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.38", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tofacitinib (CP-690550; Tasocitinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960963", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APAFANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960963, "molecule_chembl_id": "CHEMBL280164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.97", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apafant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.181", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961163", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961163, "molecule_chembl_id": "CHEMBL4202825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.45", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-60-6583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956544", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956544, "molecule_chembl_id": "CHEMBL1087004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PPQ-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961263", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENPROFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961263, "molecule_chembl_id": "CHEMBL279898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-n-Propylxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.864", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c(=O)c2[nH]cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961265", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASIATIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961265, "molecule_chembl_id": "CHEMBL404313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.71", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Asiatic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960971", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GANAXOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960971, "molecule_chembl_id": "CHEMBL1568698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.53", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ganaxolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.449", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956501", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FORMONONETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956501, "molecule_chembl_id": "CHEMBL242341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FORMONONETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PH-797804", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957520, "molecule_chembl_id": "CHEMBL1088751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.31", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PH-797804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957526", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957526, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962134", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FORMOTEROL FUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962134, "molecule_chembl_id": "CHEMBL3989798", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "840.92", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "formoterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955561", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOGESTREL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955561, "molecule_chembl_id": "CHEMBL1533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.48", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Desogestrel\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955835", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VEMURAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955835, "molecule_chembl_id": "CHEMBL1229517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.93", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vemurafenib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960339", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALTRENOGEST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960339, "molecule_chembl_id": "CHEMBL1315492", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTRENOGEST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959205", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(S)-THIORPHAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959205, "molecule_chembl_id": "CHEMBL298827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "253.32", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiorphan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.647", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELACRIDAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963685, "molecule_chembl_id": "CHEMBL396298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "5.56", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Elacridar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960484", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-7777120", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960484, "molecule_chembl_id": "CHEMBL129198", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.76", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-7777120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148198", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148198, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Felbamate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150153, "molecule_chembl_id": "CHEMBL438605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "-2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mCyd"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148902", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMODIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148902, "molecule_chembl_id": "CHEMBL289277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMODIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154663", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154663, "molecule_chembl_id": "CHEMBL583042", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "500.36", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VX-11e"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146239", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPROTIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146239, "molecule_chembl_id": "CHEMBL214381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.45", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPROTIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146599", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYPEGANINE HYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146599, "molecule_chembl_id": "CHEMBL2163792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.71", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Desoxypeganine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.c1ccc2c(c1)CN1CCCC1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150430", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIXIVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150430, "molecule_chembl_id": "CHEMBL49429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "6.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "lixivaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961512", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961512, "molecule_chembl_id": "CHEMBL2441340", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.46", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2656157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.792", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961436", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961436, "molecule_chembl_id": "CHEMBL207004", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.15", "alogp": "4.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TAK-220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.993", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961443", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961443, "molecule_chembl_id": "CHEMBL4303604", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.54", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIS3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.762", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147285", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOBUTYRAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147285, "molecule_chembl_id": "CHEMBL352219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "87.12", "alogp": "0.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isobutyramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152000", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESLICARBAZEPINE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152000, "molecule_chembl_id": "CHEMBL87992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eslicarbazepine (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152005", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152005, "molecule_chembl_id": "CHEMBL1628690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-804598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146160", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPRODISATE DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146160, "molecule_chembl_id": "CHEMBL2107338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.19", "alogp": "-0.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EPRODISATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCCS(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151620", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151620, "molecule_chembl_id": "CHEMBL256777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.41", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Merck 544"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCc2nnc(C34CC5CC(CC(C5)C3)C4)n2CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151942", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COUMARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151942, "molecule_chembl_id": "CHEMBL6466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "COUMARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145959", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145959, "molecule_chembl_id": "CHEMBL1515091", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.79", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BQ-788 (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151596", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151596, "molecule_chembl_id": "CHEMBL333133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.20", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Phenoxypyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Oc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150194", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150194, "molecule_chembl_id": "CHEMBL318457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.85", "alogp": "8.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW 4064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960981", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4'-AZIDOCYTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960981, "molecule_chembl_id": "CHEMBL393857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "-1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R-1479"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956520, "molecule_chembl_id": "CHEMBL3326006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.67", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152112", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152112, "molecule_chembl_id": "CHEMBL592652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK0660"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147115", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147115, "molecule_chembl_id": "CHEMBL4303501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.58", "alogp": "3.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S26948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151671", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-2636771", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151671, "molecule_chembl_id": "CHEMBL3188551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.43", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2636771"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150852", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFUZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150852, "molecule_chembl_id": "CHEMBL1723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALFUZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148903", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUREGRELATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148903, "molecule_chembl_id": "CHEMBL36028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.24", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "furegrelate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149187", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRETANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149187, "molecule_chembl_id": "CHEMBL349803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piretanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151565", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-2090314", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151565, "molecule_chembl_id": "CHEMBL362558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.55", "alogp": "3.42", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LY2090314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150566", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMPROFAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150566, "molecule_chembl_id": "CHEMBL1475693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.53", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FAMPROFAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147294", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04418948", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147294, "molecule_chembl_id": "CHEMBL3286797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04418948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146898", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPIAZONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146898, "molecule_chembl_id": "CHEMBL480627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.39", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclopiazonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149101, "molecule_chembl_id": "CHEMBL4303579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Sodium stibogluconate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147085", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOLINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147085, "molecule_chembl_id": "CHEMBL286204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quinolinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147116", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147116, "molecule_chembl_id": "CHEMBL4303486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "112.13", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sorbic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC=CC=CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150447", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMYGDALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150447, "molecule_chembl_id": "CHEMBL461727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.43", "alogp": "-3.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Amygdalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963946", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963946, "molecule_chembl_id": "CHEMBL178334", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.61", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.457", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957723", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIRAPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957723, "molecule_chembl_id": "CHEMBL1094636", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "niraparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960090", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960090, "molecule_chembl_id": "CHEMBL115121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "YM022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.577", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956174, "molecule_chembl_id": "CHEMBL4077818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.80", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TM-N1324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nn(-c2ncnc3nc[nH]c23)c2c1C(c1ccc(F)cc1Cl)CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960099", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960099, "molecule_chembl_id": "CHEMBL1434137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD-1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-35.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)c(O)cc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960103", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960103, "molecule_chembl_id": "CHEMBL489156", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "311.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IC261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154221", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.05", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154221, "molecule_chembl_id": "CHEMBL564131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.90", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cathepsin Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8980.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154227", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154227, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961475", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961475, "molecule_chembl_id": "CHEMBL1995703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "509.68", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG101209"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.065", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149674", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESULERGINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149674, "molecule_chembl_id": "CHEMBL2303628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.96", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mesulergine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154260", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154260, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib (MLN2238)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154263", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.08", "bao_label": "organism-based format", "molecule_pref_name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154263, "molecule_chembl_id": "CHEMBL2074689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.00", "alogp": "5.21", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LY335979 (Zosuquidar trihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8400.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151958", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151958, "molecule_chembl_id": "CHEMBL1256692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.51", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-62066 mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146810", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146810, "molecule_chembl_id": "CHEMBL1514751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.45", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-PMDQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4)CC3)CN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146930", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146930, "molecule_chembl_id": "CHEMBL3039370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIGLITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152650", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEP-32496", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152650, "molecule_chembl_id": "CHEMBL2029988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.46", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "CEP-32496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148568", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLSALAZINE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148568, "molecule_chembl_id": "CHEMBL1201013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLSALAZINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149155", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFOSTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149155, "molecule_chembl_id": "CHEMBL1006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.23", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMIFOSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCSP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148111", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148111, "molecule_chembl_id": "CHEMBL3906257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001 (RG-6016) 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149043", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149043, "molecule_chembl_id": "CHEMBL2367812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.54", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW311616"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153471", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPHOTERICIN B", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153471, "molecule_chembl_id": "CHEMBL267345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "924.09", "alogp": "0.71", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Amphotericin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149198", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROPOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149198, "molecule_chembl_id": "CHEMBL121188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147797", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLENBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147797, "molecule_chembl_id": "CHEMBL1330729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.66", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLENBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149414", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149414, "molecule_chembl_id": "CHEMBL1426312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.30", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629234"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1COC(=O)CCOc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153942", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153942, "molecule_chembl_id": "CHEMBL4303592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD-7389"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153494", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "T091317", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153494, "molecule_chembl_id": "CHEMBL62136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.34", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T0901317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151576", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALVINORIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151576, "molecule_chembl_id": "CHEMBL445332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.47", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Salvinorin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151945", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIRIMILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151945, "molecule_chembl_id": "CHEMBL1922282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.26", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lirimilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153154", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153154, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Epalrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152504", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152504, "molecule_chembl_id": "CHEMBL4303444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1155.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Colistin . sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149495", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMENTHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149495, "molecule_chembl_id": "CHEMBL470670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "156.27", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVOMENTHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154001", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154001, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ASTEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150319", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150319, "molecule_chembl_id": "CHEMBL1384140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.81", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-612763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1NC(=O)c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150224", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150224, "molecule_chembl_id": "CHEMBL1609139", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "strychnine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149810", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149810, "molecule_chembl_id": "CHEMBL1454946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154385", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RAF-265", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154385, "molecule_chembl_id": "CHEMBL558752", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "518.42", "alogp": "6.93", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CHIR-265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9190.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLAPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146843, "molecule_chembl_id": "CHEMBL521686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olaparib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151350", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVALLORPHAN TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151350, "molecule_chembl_id": "CHEMBL2062276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levallorphan tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146857", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCRIPTAID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146857, "molecule_chembl_id": "CHEMBL96051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "scriptaid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151362", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIADIMENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151362, "molecule_chembl_id": "CHEMBL520275", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.77", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIADIMENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154365", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154365, "molecule_chembl_id": "CHEMBL4539742", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARN-3236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "820.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151488", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCLOBEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151488, "molecule_chembl_id": "CHEMBL86304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.74", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOCLOBEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146996", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESMETIROM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146996, "molecule_chembl_id": "CHEMBL3261331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.23", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MGL-3196"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146787", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146787, "molecule_chembl_id": "CHEMBL473186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.33", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-127445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151948", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151948, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolcapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151227", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAL ISONICOTINOYL HYDRAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151227, "molecule_chembl_id": "CHEMBL103111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.29", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "G977X9RTC5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(/C=N/NC(=O)c2ccncc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151991", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIBBERELLIN A3", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151991, "molecule_chembl_id": "CHEMBL1232952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.38", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Gibberellic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151992", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151992, "molecule_chembl_id": "CHEMBL4540722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "YKL-06-061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)C(=O)N(c1c(C)cccc1C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147029", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147029, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145985", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDETOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145985, "molecule_chembl_id": "CHEMBL1573178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.42", "alogp": "-0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151749", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151749, "molecule_chembl_id": "CHEMBL1086657", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.41", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-6892"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1nc(-c2ccc(O)cn2)no1)C(=O)NC1=C(C(=O)O)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147034", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILYBIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147034, "molecule_chembl_id": "CHEMBL431701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SILIBININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEXIDARTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146186, "molecule_chembl_id": "CHEMBL3813873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.82", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pexidartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147248", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147248, "molecule_chembl_id": "CHEMBL4303228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Peretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151541", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151541, "molecule_chembl_id": "CHEMBL2140173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.68", "alogp": "4.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KU-60019"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151597", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADIPHENINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151597, "molecule_chembl_id": "CHEMBL555654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.89", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADIPHENINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151598", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151598, "molecule_chembl_id": "CHEMBL2151790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.32", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0357121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146292", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146292, "molecule_chembl_id": "CHEMBL537161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "medetomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(C)c2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149766", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149766, "molecule_chembl_id": "CHEMBL4303229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.55", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP-775146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(OC(C)(C)C(=O)O)c3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150805", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150805, "molecule_chembl_id": "CHEMBL3408248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.48", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD8186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147400", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICI-89406", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147400, "molecule_chembl_id": "CHEMBL11268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.41", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-89406"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146738, "molecule_chembl_id": "CHEMBL250699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-803467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152122", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYL CELECOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152122, "molecule_chembl_id": "CHEMBL2163630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.41", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMETHYL CELECOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151985", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENFLURIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151985, "molecule_chembl_id": "CHEMBL47050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "523.97", "alogp": "7.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PENFLURIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147485", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPOBROMAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147485, "molecule_chembl_id": "CHEMBL1585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.06", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPOBROMAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCBr)N1CCN(C(=O)CCBr)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152093", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAC-1", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152093, "molecule_chembl_id": "CHEMBL591429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PAC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961019, "molecule_chembl_id": "CHEMBL1229535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.745", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152811", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIFEDIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152811, "molecule_chembl_id": "CHEMBL1040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcifediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148308", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALANYL GLUTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148308, "molecule_chembl_id": "CHEMBL3707366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "-1.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Glutamine dipeptide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145620", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMIDIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145620, "molecule_chembl_id": "CHEMBL48166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151281", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151281, "molecule_chembl_id": "CHEMBL3883592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.82", "alogp": "3.68", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MM-102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150800", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAQUINIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150800, "molecule_chembl_id": "CHEMBL66092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.81", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Laquinimod (ABR-215062)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146784", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146784, "molecule_chembl_id": "CHEMBL1430530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(C2=NOC3C4CCC(C4)C23)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146785", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL CYPIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146785, "molecule_chembl_id": "CHEMBL1200973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.57", "alogp": "6.13", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Estradiol cypionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146180", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146180, "molecule_chembl_id": "CHEMBL1774154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1121.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SM-164"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146761", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146761, "molecule_chembl_id": "CHEMBL1256322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-57227A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC1CCN(c2cccc(Cl)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151993", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151993, "molecule_chembl_id": "CHEMBL123446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.40", "alogp": "4.37", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM 242421"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(Cc1cc2c(O)nc(C)nc2cc1Br)c1ccc(C(=O)NCc2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961523", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CUDC-101", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961523, "molecule_chembl_id": "CHEMBL598797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CUDC-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153468", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GANDOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153468, "molecule_chembl_id": "CHEMBL2107823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Gandotinib (LY2784544)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153469", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153469, "molecule_chembl_id": "CHEMBL3898452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KPT-185"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ncn(/C=C\\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153076", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153076, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152626", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152626, "molecule_chembl_id": "CHEMBL2203530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.36", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML281 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148131", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148131, "molecule_chembl_id": "CHEMBL284795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.34", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-G-1000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc(C)c2c1CCC=C2c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148974", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLIN V POTASSIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148974, "molecule_chembl_id": "CHEMBL1200852", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.49", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLIN V POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148242", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148242, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN A9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152813", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152813, "molecule_chembl_id": "CHEMBL104264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-89 DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151996", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTEGRAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151996, "molecule_chembl_id": "CHEMBL254316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.42", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltegravir (MK-0518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149253", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149253, "molecule_chembl_id": "CHEMBL2170016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.83", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HG-10-102-01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERAMPANEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961530, "molecule_chembl_id": "CHEMBL1214124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.39", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Perampanel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961534", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961534, "molecule_chembl_id": "CHEMBL540394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.15", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Methionine methylsulfonium iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+](C)CC[C@H](N)C(=O)O.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956580", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RADIPRODIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956580, "molecule_chembl_id": "CHEMBL182066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.41", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Radiprodil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148850", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAMIFENACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148850, "molecule_chembl_id": "CHEMBL27507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "zamifenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148320", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "P-TOLUENESULFONAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148320, "molecule_chembl_id": "CHEMBL574", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.22", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "para-toluenesulfonamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148324", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATRASENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148324, "molecule_chembl_id": "CHEMBL9194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.63", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ATRASENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154332", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154332, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150798", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(D)-SERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150798, "molecule_chembl_id": "CHEMBL285123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.09", "alogp": "-1.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147470", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KINETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147470, "molecule_chembl_id": "CHEMBL228792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.22", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Kinetin (6-Furfuryladenine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1coc(CNc2ncnc3[nH]cnc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147472", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIOCIGUAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147472, "molecule_chembl_id": "CHEMBL2107834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.42", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riociguat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152006", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZBROMARONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152006, "molecule_chembl_id": "CHEMBL388590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.09", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BENZBROMARONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148315", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATENOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148315, "molecule_chembl_id": "CHEMBL24", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESATENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148319", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148319, "molecule_chembl_id": "CHEMBL122622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.39", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUF-5834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152829, "molecule_chembl_id": "CHEMBL1201082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.79", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152835", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLX-4720", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152835, "molecule_chembl_id": "CHEMBL1230020", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.83", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PLX-4720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148332", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148332, "molecule_chembl_id": "CHEMBL608847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIRTAZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153260", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153260, "molecule_chembl_id": "CHEMBL2093950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Deazaadenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154301", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "7.22", "bao_label": "organism-based format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154301, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralatrexate(Folotyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154522", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154522, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146987", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENIDOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146987, "molecule_chembl_id": "CHEMBL1529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.91", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diphenidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146570", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146570, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amsacrine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154376", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154376, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "brefeldin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148390", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148390, "molecule_chembl_id": "CHEMBL4303401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.12", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(5-fluoro-3-pyridyl)methanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1cncc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146763", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146763, "molecule_chembl_id": "CHEMBL375126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.15", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "apoptosis-activator-II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146764", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOGREL BISULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146764, "molecule_chembl_id": "CHEMBL1083385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOPIDOGREL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152102", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152102, "molecule_chembl_id": "CHEMBL372199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.93", "alogp": "4.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MRK-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147603", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRACAZOLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147603, "molecule_chembl_id": "CHEMBL84567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tracazolate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152608", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPOXANTHINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152608, "molecule_chembl_id": "CHEMBL1427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hypoxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151534", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151534, "molecule_chembl_id": "CHEMBL1554187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.62", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cytochalasin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\\[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152944", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152944, "molecule_chembl_id": "CHEMBL4075936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FPS-ZM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150889", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVONORGESTREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150889, "molecule_chembl_id": "CHEMBL1389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTREL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150217", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150217, "molecule_chembl_id": "CHEMBL2322201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.31", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYR-41"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152978", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORTRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152978, "molecule_chembl_id": "CHEMBL1201156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.85", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORTRIPTYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152598", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152598, "molecule_chembl_id": "CHEMBL225542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148998", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMITALDEHYDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148998, "molecule_chembl_id": "CHEMBL1235338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.43", "alogp": "5.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "1-hexadecanal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153501", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153501, "molecule_chembl_id": "CHEMBL309138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R121919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152993", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPMATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152993, "molecule_chembl_id": "CHEMBL3188267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.43", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148262", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHOSPHORIC ACID MONODODECYL ESTER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148262, "molecule_chembl_id": "CHEMBL187711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.32", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dodecylphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148867", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148867, "molecule_chembl_id": "CHEMBL1255868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.71", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPEP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C#Cc2ccccc2)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152703", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152703, "molecule_chembl_id": "CHEMBL1788135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.49", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146238", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146238, "molecule_chembl_id": "CHEMBL1204779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.40", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sodium-dodecyl-sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149068", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLORANOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149068, "molecule_chembl_id": "CHEMBL156791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cloranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152712", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHIR-99021", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152712, "molecule_chembl_id": "CHEMBL412142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.35", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-99021 (CT99021) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146088", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYLNOREPINEPHRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146088, "molecule_chembl_id": "CHEMBL1322824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.69", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethylnorepinephrine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(N)C(O)c1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152321", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TACEDINALINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152321, "molecule_chembl_id": "CHEMBL235191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CI994 (Tacedinaline)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152327", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152327, "molecule_chembl_id": "CHEMBL135561", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.63", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FTI-277"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147823", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147823, "molecule_chembl_id": "CHEMBL4303160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.54", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRT3190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150009", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETEBENECID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150009, "molecule_chembl_id": "CHEMBL1705586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.31", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETEBENECID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150010", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHICILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150010, "molecule_chembl_id": "CHEMBL3181832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.42", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHICILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154514", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154514, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150214", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150214, "molecule_chembl_id": "CHEMBL523577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.64", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COR-170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccccc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147444", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSULPIRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147444, "molecule_chembl_id": "CHEMBL267044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "levosulpiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151582", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151582, "molecule_chembl_id": "CHEMBL483688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.02", "alogp": "2.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSB-603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152919", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152919, "molecule_chembl_id": "CHEMBL488755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAS-103 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146900", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146900, "molecule_chembl_id": "CHEMBL4303175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ectoine-zwitterion"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1NCC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151588", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151588, "molecule_chembl_id": "CHEMBL3979441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.50", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-322044"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153019, "molecule_chembl_id": "CHEMBL4303234", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.54", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AS-2034178"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1ccc(NCc2cccc3c2CCCN3CCOc2ccccc2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153025", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153025, "molecule_chembl_id": "CHEMBL3185434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ID-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148520, "molecule_chembl_id": "CHEMBL4303564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-79948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152329", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152329, "molecule_chembl_id": "CHEMBL556399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.75", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-75"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148348", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEPTYLFORMAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148348, "molecule_chembl_id": "CHEMBL43719", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "143.23", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEPTYLFORMAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCNC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154284", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154284, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148863", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE MAGNESIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148863, "molecule_chembl_id": "CHEMBL2146133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.14", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEXIUM (esomeprazole magnesium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153371", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153371, "molecule_chembl_id": "CHEMBL4303399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.27", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7;8;9;10-tetrahydroazepino[2;1-b]quinazolin-12(6H)-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2NC2=CCCCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150640", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150640, "molecule_chembl_id": "CHEMBL606298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148373", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148373, "molecule_chembl_id": "CHEMBL1448044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.45", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXOLAMINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150289", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMIPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150289, "molecule_chembl_id": "CHEMBL1168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.52", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMIPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147801", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATB-346", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147801, "molecule_chembl_id": "CHEMBL4211107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.45", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ATB-346"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148303", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148303, "molecule_chembl_id": "CHEMBL635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.43", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152809", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIRONOLACTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152809, "molecule_chembl_id": "CHEMBL1393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPIRONOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148381", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICLOPIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148381, "molecule_chembl_id": "CHEMBL1717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.25", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TICLOPIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccccc1CN1CCc2sccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151394", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151394, "molecule_chembl_id": "CHEMBL1775179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APD668"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145646", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145646, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "17beta-Estradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147925", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147925, "molecule_chembl_id": "CHEMBL1963131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.55", "alogp": "2.86", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB 3284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153272", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153272, "molecule_chembl_id": "CHEMBL308534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TESTOSTERONE PROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153383", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TARANABANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153383, "molecule_chembl_id": "CHEMBL220360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.96", "alogp": "6.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Taranabant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149606", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149606, "molecule_chembl_id": "CHEMBL4092990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "691.62", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FIIN-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146492", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146492, "molecule_chembl_id": "CHEMBL3311302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AH-7614"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152570", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURVALANOLA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152570, "molecule_chembl_id": "CHEMBL23327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "purvalanol-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149637", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149637, "molecule_chembl_id": "CHEMBL180570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.00", "alogp": "-0.70", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MEDRONIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)CP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152724", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152724, "molecule_chembl_id": "CHEMBL2094620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152690", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152690, "molecule_chembl_id": "CHEMBL576786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.49", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JZL184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154420", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154420, "molecule_chembl_id": "CHEMBL1562779", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KD-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152303", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MSX-122", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152303, "molecule_chembl_id": "CHEMBL3545330", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.35", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MSX-122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152395", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTEBEREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152395, "molecule_chembl_id": "CHEMBL278703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "erteberel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150912, "molecule_chembl_id": "CHEMBL4303268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.69", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Patupilone (EPO906; Epothilone B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149949", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149949, "molecule_chembl_id": "CHEMBL1570196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-94253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148256", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148256, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REPAGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146423", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146423, "molecule_chembl_id": "CHEMBL4066998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.13", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BD-1063"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152866, "molecule_chembl_id": "CHEMBL3770443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.97", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "G-5555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153601", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINGOLIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153601, "molecule_chembl_id": "CHEMBL314854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.48", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fingolimod hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152873", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152873, "molecule_chembl_id": "CHEMBL66089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.34", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152767", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-7420", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152767, "molecule_chembl_id": "CHEMBL3330650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.22", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148395", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148395, "molecule_chembl_id": "CHEMBL344159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.95", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tolvaptan\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153002", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153002, "molecule_chembl_id": "CHEMBL428462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AT7867"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148023", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148023, "molecule_chembl_id": "CHEMBL333985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.35", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152654", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152654, "molecule_chembl_id": "CHEMBL1995703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.68", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG101209"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152407", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152407, "molecule_chembl_id": "CHEMBL2408045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAPITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANAGRELIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152530, "molecule_chembl_id": "CHEMBL760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.09", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANAGRELIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152531", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCITRIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152531, "molecule_chembl_id": "CHEMBL846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcitriol (Rocaltrol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148166", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNIFLUMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148166, "molecule_chembl_id": "CHEMBL1081506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.34", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Talniflumate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147927", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXYPROPIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147927, "molecule_chembl_id": "CHEMBL312311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.18", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAROXYPROPIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154178", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154178, "molecule_chembl_id": "CHEMBL408917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "647.90", "alogp": "6.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146499", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUSPIRILENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146499, "molecule_chembl_id": "CHEMBL46516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.58", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fluspirilene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153004", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153004, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-1775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152869", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152869, "molecule_chembl_id": "CHEMBL1527537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UC-112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154186, "molecule_chembl_id": "CHEMBL388727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "parthenolide-(alternate-stereo)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152539", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152539, "molecule_chembl_id": "CHEMBL1333081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-225422"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147919", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147919, "molecule_chembl_id": "CHEMBL3617053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.56", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-121431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152797", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152797, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MOZAVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147840", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147840, "molecule_chembl_id": "CHEMBL304008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.26", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-93129"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2[nH]cc(C3=CCNCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147843, "molecule_chembl_id": "CHEMBL2313646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HJC-0350"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149976", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149976, "molecule_chembl_id": "CHEMBL3348958", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.30", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bilobalide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)C231", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154429", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154429, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3040.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152721", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152721, "molecule_chembl_id": "CHEMBL35482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-98059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(=O)c3ccccc3o2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154479", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SUCCINOBUCOL", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154479, "molecule_chembl_id": "CHEMBL83626", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "616.93", "alogp": "9.97", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Succinobucol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10200.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154285", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154285, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NICLOSAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150717", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150717, "molecule_chembl_id": "CHEMBL2036730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.45", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3988"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154644", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154644, "molecule_chembl_id": "CHEMBL1336727", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thiothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147812", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIVAGABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147812, "molecule_chembl_id": "CHEMBL1870796", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.24", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "pivagabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)NCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149990, "molecule_chembl_id": "CHEMBL4541479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "648.79", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AX 15836"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(S(C)(=O)=O)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149643", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149643, "molecule_chembl_id": "CHEMBL4303366", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C(C)OC)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146210", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146210, "molecule_chembl_id": "CHEMBL521582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.98", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NE-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROXATIDINE ACETATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149738, "molecule_chembl_id": "CHEMBL2104871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.90", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Roxatidine (Acetate Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154248", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154248, "molecule_chembl_id": "CHEMBL4076247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.39", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-6640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152582", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152582, "molecule_chembl_id": "CHEMBL216735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.37", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GP2a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148682", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148682, "molecule_chembl_id": "CHEMBL4303455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.86", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-209929"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIPROFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150844, "molecule_chembl_id": "CHEMBL8", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIPROFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154208", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.64", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154208, "molecule_chembl_id": "CHEMBL3775982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.31", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AY-9944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22710.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150485", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISEPAMICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150485, "molecule_chembl_id": "CHEMBL272080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.61", "alogp": "-7.52", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Isepamicin sulphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148241", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148241, "molecule_chembl_id": "CHEMBL7660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.19", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCN(c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956615", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956615, "molecule_chembl_id": "CHEMBL247070", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AIM-100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961585", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961585, "molecule_chembl_id": "CHEMBL1543306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.62", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SF-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151583", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151583, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147449", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147449, "molecule_chembl_id": "CHEMBL383144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.27", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-methyladenosine (m6A)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150841", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150841, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ramelteon\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146127, "molecule_chembl_id": "CHEMBL274619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956533", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956533, "molecule_chembl_id": "CHEMBL4065484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.41", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EED226"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORDYCEPIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150866, "molecule_chembl_id": "CHEMBL305686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.25", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "cordycepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956570", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956570, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150625", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150625, "molecule_chembl_id": "CHEMBL65892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG14361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146350", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146350, "molecule_chembl_id": "CHEMBL257119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.59", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-23766"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152743", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152743, "molecule_chembl_id": "CHEMBL4303478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "669.86", "alogp": "3.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DPC-681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNCc1cccc(F)c1)C(C)(C)C)S(=O)(=O)c1cccc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150429", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHISOQUIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150429, "molecule_chembl_id": "CHEMBL1533364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.85", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimethisoquin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961307", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPROTHIXENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961307, "molecule_chembl_id": "CHEMBL1256658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.33", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CHLORPROTHIXENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.851", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154564", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154564, "molecule_chembl_id": "CHEMBL1057", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.25", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150246", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXOTREMORINE METHIODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150246, "molecule_chembl_id": "CHEMBL23957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.19", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxotremorine-m"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC#CCN1CCCC1=O.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958322", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958322, "molecule_chembl_id": "CHEMBL1194993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.36", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119905"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963478", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963478, "molecule_chembl_id": "CHEMBL1416993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.71", "alogp": "4.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FK-888"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958344", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CISAPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958344, "molecule_chembl_id": "CHEMBL1729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.95", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CISAPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959713", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUACETISAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959713, "molecule_chembl_id": "CHEMBL2105097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.28", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Guacetisal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.278", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)c1ccccc1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964205", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.44", "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964205, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963030", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESORCINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963030, "molecule_chembl_id": "CHEMBL24147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958878", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958878, "molecule_chembl_id": "CHEMBL4061538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.13", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PX-478 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.N[C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963385", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963385, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958783", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958783, "molecule_chembl_id": "CHEMBL1085588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.48", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEPP-46"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c2cc([S+](C)[O-])sc2c2cnn(Cc3cccc(N)c3)c(=O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961536", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PURVALANOL B", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961536, "molecule_chembl_id": "CHEMBL23254", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.91", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "purvalanol-b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961545", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961545, "molecule_chembl_id": "CHEMBL275338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIAMCINOLONE ACETONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961380", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-8330", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961380, "molecule_chembl_id": "CHEMBL3182621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.23", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.899", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961382", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIPEXIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961382, "molecule_chembl_id": "CHEMBL1377408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPEXIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.535", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152929", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXALIPLATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152929, "molecule_chembl_id": "CHEMBL414804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 4, "image_file": "smallMolecule.svg", "compound_key": "OXALIPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152541", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LONIDAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152541, "molecule_chembl_id": "CHEMBL1257030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.16", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Diclondazolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153028", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADOPRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153028, "molecule_chembl_id": "CHEMBL221692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.47", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Adoprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956456", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHOPABATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956456, "molecule_chembl_id": "CHEMBL458769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHOPABATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(NC(C)=O)ccc1C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956554", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LMP-744", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956554, "molecule_chembl_id": "CHEMBL126159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MJ-III65"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961336", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961336, "molecule_chembl_id": "CHEMBL4303706", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.50", "alogp": "4.78", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK-1562590"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956467", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956467, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMODIAQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956472", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUVOGLUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956472, "molecule_chembl_id": "CHEMBL307429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MIGALASTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956476", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-38877605", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956476, "molecule_chembl_id": "CHEMBL2133806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.36", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ-38877605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961126", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961126, "molecule_chembl_id": "CHEMBL4303338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "538.53", "alogp": "5.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LX-1031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.846", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc([C@@H](Oc3cc(-c4ccc(C[C@H](N)C(=O)O)cc4)nc(N)n3)C(F)(F)F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961342", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961342, "molecule_chembl_id": "CHEMBL1316965", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.96", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETHAVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961058", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961058, "molecule_chembl_id": "CHEMBL1236749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.26", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminopenicillanic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148655", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148655, "molecule_chembl_id": "CHEMBL4303560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "CHLOROPHYLLIDE Cu COMPLEX Na SALT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153168", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153168, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PIMOZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149283", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAPRENEPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149283, "molecule_chembl_id": "CHEMBL2107783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAPRENEPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148745", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIP HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148745, "molecule_chembl_id": "CHEMBL1255746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.60", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gaboxadol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1noc2c1CCNC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149292", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149292, "molecule_chembl_id": "CHEMBL4303547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.44", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-3230"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148680", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148680, "molecule_chembl_id": "CHEMBL1458713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.41", "alogp": "-1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Doxycycline (hyclate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961554", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961554, "molecule_chembl_id": "CHEMBL173562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Hydroxyethyl salicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCO)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961555", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961555, "molecule_chembl_id": "CHEMBL15060", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-phenylmelatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148148", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLOMETHASONE DIPROPIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148148, "molecule_chembl_id": "CHEMBL1200500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SAM002699895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149426", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLOXURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149426, "molecule_chembl_id": "CHEMBL917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLOXURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148800", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148800, "molecule_chembl_id": "CHEMBL395280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Huperzine A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148673", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOCEPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148673, "molecule_chembl_id": "CHEMBL218394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.69", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BOCEPREVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149372", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149372, "molecule_chembl_id": "CHEMBL117904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.42", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-WAG-994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147798", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147798, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPRONIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153191", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153191, "molecule_chembl_id": "CHEMBL285063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.22", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD168393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151329", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESTOSTERONE UNDECANOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151329, "molecule_chembl_id": "CHEMBL2107067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.96", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Testosterone (undecanoate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153606", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOTRIMAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153606, "molecule_chembl_id": "CHEMBL104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLOTRIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148703", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148703, "molecule_chembl_id": "CHEMBL4303243", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.53", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "neo-gilurytmal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[N+]12C3C[C@H](C4C(O)[C@]5(C[C@@H]41)c1ccccc1N(C)[C@@H]35)[C@H](CC)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153096", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRARUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153096, "molecule_chembl_id": "CHEMBL2354444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "627.64", "alogp": "1.55", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Pirarubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153266, "molecule_chembl_id": "CHEMBL591501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.56", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-03049423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154000", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154000, "molecule_chembl_id": "CHEMBL2017214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.56", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHK-IN-1 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153230", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153230, "molecule_chembl_id": "CHEMBL53753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.19", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-158780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149560", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINERIXIBAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149560, "molecule_chembl_id": "CHEMBL2387408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "546.69", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Iinerixibat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149501", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149501, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149421", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOXYBENZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149421, "molecule_chembl_id": "CHEMBL1326877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIOXYBENZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149148", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149148, "molecule_chembl_id": "CHEMBL2315265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.25", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-336893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149571", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARBOFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149571, "molecule_chembl_id": "CHEMBL478120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MARBOFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154086", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154086, "molecule_chembl_id": "CHEMBL3286929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.77", "alogp": "8.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "deltarasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149659, "molecule_chembl_id": "CHEMBL1200735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.90", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXIFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152514", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUPATADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152514, "molecule_chembl_id": "CHEMBL91397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.97", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rupatadine fumarate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154169", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154169, "molecule_chembl_id": "CHEMBL88272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.96", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS-17053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154257", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.60", "bao_label": "organism-based format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154257, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "250.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154414", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154414, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Harringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1940.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149915", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149915, "molecule_chembl_id": "CHEMBL444422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.44", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD008518"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCCc1ccc(CCSC(=N)N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150003", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150003, "molecule_chembl_id": "CHEMBL375166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.54", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AR-C155858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153001", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-1530", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153001, "molecule_chembl_id": "CHEMBL1980391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.79", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R1530"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148003", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARETHOXYCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148003, "molecule_chembl_id": "CHEMBL1603742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(diethylamino)ethyl 4-ethoxybenzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(C(=O)OCCN(CC)CC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148502", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148502, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOMIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956627", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SNS-314", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956627, "molecule_chembl_id": "CHEMBL482767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.95", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SNS-314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150402", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150402, "molecule_chembl_id": "CHEMBL1371156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-54443"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(O)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146004", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALPEPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146004, "molecule_chembl_id": "CHEMBL92708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CALPEPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145905", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-SECOISOLARICIRESINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145905, "molecule_chembl_id": "CHEMBL368347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.42", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "secoisolariciresinol-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145907", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBERDOMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145907, "molecule_chembl_id": "CHEMBL3989927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.51", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Iberdomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145913", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENASIDENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145913, "molecule_chembl_id": "CHEMBL3989908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.38", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enasidenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146328", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLORFENICOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146328, "molecule_chembl_id": "CHEMBL1241590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLORFENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956241", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956241, "molecule_chembl_id": "CHEMBL3342553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.53", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 3000328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961025", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SNC-80", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961025, "molecule_chembl_id": "CHEMBL13470", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.64", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SNC-80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149879", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149879, "molecule_chembl_id": "CHEMBL15870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.31", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961407", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHAMIVAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961407, "molecule_chembl_id": "CHEMBL1229908", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMIVAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149887", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149887, "molecule_chembl_id": "CHEMBL3334990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.15", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;3'-dichlorobenzaldazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961468", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMTHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961468, "molecule_chembl_id": "CHEMBL293762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "157.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amthamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.329", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961476", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LENVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961476, "molecule_chembl_id": "CHEMBL1289601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "E7080 (Lenvatinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961481", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TORIN1", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961481, "molecule_chembl_id": "CHEMBL1256459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "607.64", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Torin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.841", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154267", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.63", "bao_label": "organism-based format", "molecule_pref_name": "METOPRINE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154267, "molecule_chembl_id": "CHEMBL264373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metoprine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2340.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956541", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREXASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956541, "molecule_chembl_id": "CHEMBL3544911", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.40", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PREXASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956218", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DELANZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956218, "molecule_chembl_id": "CHEMBL270515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.28", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "DELANZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956265", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956265, "molecule_chembl_id": "CHEMBL31344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.11", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-29951"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149899", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149899, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Crisaborole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147950", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147950, "molecule_chembl_id": "CHEMBL1715705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.73", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ozagrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152454, "molecule_chembl_id": "CHEMBL1237007", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.67", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(4-CHLORO-PHENYLAMINO)-NICOTINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147954", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147954, "molecule_chembl_id": "CHEMBL584991", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.64", "alogp": "1.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDO5L"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147959", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIOCHOLANOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147959, "molecule_chembl_id": "CHEMBL85799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-alpha-Hydroxy-5-beta-androstan-17-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147964", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOTEPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147964, "molecule_chembl_id": "CHEMBL671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.22", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIOTEPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=P(N1CC1)(N1CC1)N1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153504", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153504, "molecule_chembl_id": "CHEMBL1201039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.95", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152556", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152556, "molecule_chembl_id": "CHEMBL510780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.34", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-8593"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCC[C@H]2Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148787", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RABEPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148787, "molecule_chembl_id": "CHEMBL1200930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.43", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rabeprazole (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151127, "molecule_chembl_id": "CHEMBL4303433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.13", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;5-furandimethanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145814", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145814, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin 9 (SF 6847)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151407", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GPI-1046", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151407, "molecule_chembl_id": "CHEMBL6367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPI-1046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149023", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149023, "molecule_chembl_id": "CHEMBL4303252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.73", "alogp": "6.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "acetyl-11-keto-beta-boswellic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153436", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153436, "molecule_chembl_id": "CHEMBL267678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.41", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A205804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148934", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALGANCICLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148934, "molecule_chembl_id": "CHEMBL1200454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.83", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALGANCICLOVIR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149030", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149030, "molecule_chembl_id": "CHEMBL4535998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.81", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CM-TPMF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C/Nc1nc2nccc(C(C)Oc3ccc(Cl)cc3C)n2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149035", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149035, "molecule_chembl_id": "CHEMBL257167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPCA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153451", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153451, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TILORONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148953", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148953, "molecule_chembl_id": "CHEMBL1897738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clinofibrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153557", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153557, "molecule_chembl_id": "CHEMBL427947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1255.44", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Actinomycin D"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153559", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153559, "molecule_chembl_id": "CHEMBL65", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAMPTOTHECIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154312", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154312, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147046", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILOPROST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147046, "molecule_chembl_id": "CHEMBL494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.49", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Iloprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151242", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOHIPPURATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151242, "molecule_chembl_id": "CHEMBL1681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.07", "alogp": "1.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-iodohippuric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1ccccc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147219", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFSULODIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147219, "molecule_chembl_id": "CHEMBL3351077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.56", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFSULODIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147224", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147224, "molecule_chembl_id": "CHEMBL3092807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.59", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151629", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPURINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151629, "molecule_chembl_id": "CHEMBL859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.11", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxypurinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)c2c[nH]nc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147133", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERZINFOTEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147133, "molecule_chembl_id": "CHEMBL452461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.19", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "perzinfotel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2c(c1=O)N(CCP(=O)(O)O)CCCN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147135", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "4-DAMP", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147135, "molecule_chembl_id": "CHEMBL76897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147019, "molecule_chembl_id": "CHEMBL210846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.39", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU1545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147235", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147235, "molecule_chembl_id": "CHEMBL558805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.44", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benztropine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151739", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPEBRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151739, "molecule_chembl_id": "CHEMBL3301625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-292 (AVL-292)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147150", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147150, "molecule_chembl_id": "CHEMBL1081188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147245", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIZATRIPTAN BENZOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147245, "molecule_chembl_id": "CHEMBL1201032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.48", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rizatriptan Benzoate (Maxalt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151537", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151537, "molecule_chembl_id": "CHEMBL54126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEOSTIGMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151666", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOBROMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151666, "molecule_chembl_id": "CHEMBL1114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "THEOBROMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c1c(=O)[nH]c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151667", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOXYQUIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151667, "molecule_chembl_id": "CHEMBL225164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOXYQUIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151604", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151604, "molecule_chembl_id": "CHEMBL4303171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 02188"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147103", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147103, "molecule_chembl_id": "CHEMBL4303696", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diflorasone diacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147107", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCATEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147107, "molecule_chembl_id": "CHEMBL160519", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.36", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PROCATEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147492", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147492, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264639"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146771", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146771, "molecule_chembl_id": "CHEMBL1200538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAMETHASONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147609", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRISMETHOXYRESVERATROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147609, "molecule_chembl_id": "CHEMBL296411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.33", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-trismethoxy Resveratrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147390", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELPERCATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147390, "molecule_chembl_id": "CHEMBL4559134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.61", "alogp": "3.28", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOXO-292"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147174, "molecule_chembl_id": "CHEMBL178455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.42", "alogp": "6.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI-8751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147327", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147327, "molecule_chembl_id": "CHEMBL2048872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151681", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151681, "molecule_chembl_id": "CHEMBL4116008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cerdulatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147565", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILARGININE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147565, "molecule_chembl_id": "CHEMBL1256175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.28", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "targinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148921", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148921, "molecule_chembl_id": "CHEMBL565269", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.36", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STF-62247"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149021", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149021, "molecule_chembl_id": "CHEMBL257167", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TPCA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146977", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-2461", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146977, "molecule_chembl_id": "CHEMBL1822792", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.56", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146986", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINPOCETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146986, "molecule_chembl_id": "CHEMBL71752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VINPOCETINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151783", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARZENIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151783, "molecule_chembl_id": "CHEMBL414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.20", "alogp": "0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARZENIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146993", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROPERIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146993, "molecule_chembl_id": "CHEMBL1108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.44", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DROPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151850", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151850, "molecule_chembl_id": "CHEMBL1395579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147349", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAROPITANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147349, "molecule_chembl_id": "CHEMBL2111099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.69", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Maropitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153185", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153185, "molecule_chembl_id": "CHEMBL1625728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.80", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTS-54505"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149805", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBROMSALAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149805, "molecule_chembl_id": "CHEMBL24944", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.92", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tribomsalan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154581", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ZOSUQUIDAR TRIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154581, "molecule_chembl_id": "CHEMBL2074689", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "637.00", "alogp": "5.21", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "LY335979 (Zosuquidar trihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147365", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147365, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cromakalim\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151869", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ILEPCIMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151869, "molecule_chembl_id": "CHEMBL118478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.30", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antiepilepsirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148757", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148757, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacidipine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151891", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENSULIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151891, "molecule_chembl_id": "CHEMBL1987518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.30", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenylbenzimidazole-sulfonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147394", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147394, "molecule_chembl_id": "CHEMBL260563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEMADO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC#Cc1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148916", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPECTINOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148916, "molecule_chembl_id": "CHEMBL3989571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.35", "alogp": "-2.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SPECTINOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl.O.O.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151134", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151134, "molecule_chembl_id": "CHEMBL1516068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOPERASTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc([C@@H](OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150648", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150648, "molecule_chembl_id": "CHEMBL1710950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.53", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145830", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145830, "molecule_chembl_id": "CHEMBL1870961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.81", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "clofedanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150440", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150440, "molecule_chembl_id": "CHEMBL4303705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "648.80", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "chromanol-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O.CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146349", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDOXURIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146349, "molecule_chembl_id": "CHEMBL788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.10", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idoxuridin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150069", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONDANSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150069, "molecule_chembl_id": "CHEMBL3186492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.86", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ONDANSETRON HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150463", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150463, "molecule_chembl_id": "CHEMBL2018096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ipragliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151208", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151208, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Silodosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150939", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150939, "molecule_chembl_id": "CHEMBL3186774", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.35", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146438", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146438, "molecule_chembl_id": "CHEMBL3115681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ON123300"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146390", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146390, "molecule_chembl_id": "CHEMBL99377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.31", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-M-PDOT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC1CCc2cccc(OC)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150500", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIMASARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150500, "molecule_chembl_id": "CHEMBL1951143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.66", "alogp": "4.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Fimasartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145712", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPI-549", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145712, "molecule_chembl_id": "CHEMBL3984425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.58", "alogp": "3.24", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "IPI549"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145498", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145498, "molecule_chembl_id": "CHEMBL3545413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.60", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Flumatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151100", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRABENAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151100, "molecule_chembl_id": "CHEMBL117785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRABENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150573", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBENECID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150573, "molecule_chembl_id": "CHEMBL897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.36", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROBENECID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146076", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146076, "molecule_chembl_id": "CHEMBL2235152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.71", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 1e [PMID: 27285276]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146079", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146079, "molecule_chembl_id": "CHEMBL562551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.70", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0361737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccccn2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151024", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URAPIDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151024, "molecule_chembl_id": "CHEMBL1256716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.95", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "URAPIDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145624, "molecule_chembl_id": "CHEMBL1213137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOMIPHENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146694", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146694, "molecule_chembl_id": "CHEMBL1256287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.14", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246764"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146466", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANAPANEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146466, "molecule_chembl_id": "CHEMBL19892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.26", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ZK-200775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151057", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151057, "molecule_chembl_id": "CHEMBL2093113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.25", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pomalidomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146027", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146027, "molecule_chembl_id": "CHEMBL1200988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methantheline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146089", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146089, "molecule_chembl_id": "CHEMBL152632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.21", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "niridazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCN1c1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146436", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146436, "molecule_chembl_id": "CHEMBL483857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-3CT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150563", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYTOIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150563, "molecule_chembl_id": "CHEMBL1611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.25", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENYTOIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147152", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147152, "molecule_chembl_id": "CHEMBL1200981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Epirubicin Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151087", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151087, "molecule_chembl_id": "CHEMBL1580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.27", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146086", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHIONAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146086, "molecule_chembl_id": "CHEMBL1441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.25", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHIONAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150835", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150835, "molecule_chembl_id": "CHEMBL33227", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.38", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-328437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145740", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145740, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Orlipastat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146009", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146009, "molecule_chembl_id": "CHEMBL4303723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.37", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mivobulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1cc2c(c(N)n1)NC(c1ccccc1)=C(C)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145628", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "rel-RITODRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145628, "molecule_chembl_id": "CHEMBL489553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146825", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146825, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152151", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152151, "molecule_chembl_id": "CHEMBL449575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.85", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5'-Chloro-5'-deoxy-ENBA-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151333", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151333, "molecule_chembl_id": "CHEMBL1256667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.41", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-205384"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC(O)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147659, "molecule_chembl_id": "CHEMBL1492498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML268"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147661", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147661, "molecule_chembl_id": "CHEMBL773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "75.07", "alogp": "-0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149892", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENOXOLONE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149892, "molecule_chembl_id": "CHEMBL1697717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "614.73", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CARBENOXOLONE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151289", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151289, "molecule_chembl_id": "CHEMBL3696180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.57", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MI-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961510", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOLSULPHONATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961510, "molecule_chembl_id": "CHEMBL3989534", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.19", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Phenolsulfonic_acid; sodium salt dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O.O=S(=O)([O-])c1ccc(O)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153890", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-461364", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153890, "molecule_chembl_id": "CHEMBL1908394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.62", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK461364"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153520, "molecule_chembl_id": "CHEMBL1562223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spironolactone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153503", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VILAZODONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153503, "molecule_chembl_id": "CHEMBL439849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VILAZODONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK3207", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148866, "molecule_chembl_id": "CHEMBL1910936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.60", "alogp": "3.77", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-3207 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153607", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153607, "molecule_chembl_id": "CHEMBL3182051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.09", "alogp": "3.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD318088"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOCC(O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151585", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151585, "molecule_chembl_id": "CHEMBL589101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148649", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAMPANEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148649, "molecule_chembl_id": "CHEMBL61872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "talampanel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146944", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERFLUAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146944, "molecule_chembl_id": "CHEMBL2104877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.06", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Perfluorotripropylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151447", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151447, "molecule_chembl_id": "CHEMBL347502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.41", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moguisteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151448", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151448, "molecule_chembl_id": "CHEMBL4303218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Neohesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151451", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151451, "molecule_chembl_id": "CHEMBL226630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UK 383367"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBUTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151454, "molecule_chembl_id": "CHEMBL714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salbutamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152909", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152909, "molecule_chembl_id": "CHEMBL2138625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.01", "alogp": "4.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AV-412 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154151", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154151, "molecule_chembl_id": "CHEMBL4303527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.43", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[S+]([O-])c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154064", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154064, "molecule_chembl_id": "CHEMBL4525049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.94", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CDK9-IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149562", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149562, "molecule_chembl_id": "CHEMBL4303395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pinanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@H](O)[C@](C)(O)[C@@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146534", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGS-15943", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146534, "molecule_chembl_id": "CHEMBL16687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.69", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGS-15943"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146429", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146429, "molecule_chembl_id": "CHEMBL1356971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.68", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-Deoxycytidine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150980", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DSM-265", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150980, "molecule_chembl_id": "CHEMBL1956285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.34", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "DSM265"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(C)(F)F)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146639", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROQUINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146639, "molecule_chembl_id": "CHEMBL537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145862", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-06650833", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145862, "molecule_chembl_id": "CHEMBL4081711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.37", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF06650833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145866, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOPIRAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145643", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCERANIB PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145643, "molecule_chembl_id": "CHEMBL2103833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.46", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Toceranib (phosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145876", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LODOXAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145876, "molecule_chembl_id": "CHEMBL1201266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.64", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lodoxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961116", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOBUNOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961116, "molecule_chembl_id": "CHEMBL1201177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "levobunolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961095", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961095, "molecule_chembl_id": "CHEMBL316069", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.34", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-SER-082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961615", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAUNORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961615, "molecule_chembl_id": "CHEMBL1563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.99", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956246", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RALTEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956246, "molecule_chembl_id": "CHEMBL254316", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.42", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RALTEGRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961351", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961351, "molecule_chembl_id": "CHEMBL571700", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.38", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylthiuram monosulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146589", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146589, "molecule_chembl_id": "CHEMBL1417783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.99", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DILTIAZEM HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961051", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMESNA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961051, "molecule_chembl_id": "CHEMBL2104318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.35", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DIMESNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961097", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961097, "molecule_chembl_id": "CHEMBL4303271", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ivabradine HCl (Procoralan)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.475", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@@H]1Cc3cc(OC)c(OC)cc31)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961628", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961628, "molecule_chembl_id": "CHEMBL1923233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.28", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Degrasyn (WP1130)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961637", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961637, "molecule_chembl_id": "CHEMBL1374843", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "648.26", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iobenguane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCc1cccc(I)c1.N=C(N)NCc1cccc(I)c1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146676", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRONETALOLHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146676, "molecule_chembl_id": "CHEMBL1876082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.78", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRONETALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc2ccccc2c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146465", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETIZOLAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146465, "molecule_chembl_id": "CHEMBL1289779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.86", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etizolam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151936", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151936, "molecule_chembl_id": "CHEMBL1256484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.67", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Methyldopamine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146707", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NABUMETONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146707, "molecule_chembl_id": "CHEMBL1070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NABUMETONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(CCC(C)=O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146474", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146474, "molecule_chembl_id": "CHEMBL4303214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fruquintinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961189", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961189, "molecule_chembl_id": "CHEMBL3341861", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.89", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSNCBAM-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146678", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARINGIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146678, "molecule_chembl_id": "CHEMBL451532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.54", "alogp": "-1.17", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Naringin (Naringoside)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145707", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSBRETABULIN DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145707, "molecule_chembl_id": "CHEMBL289351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.30", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fosbretabulin (disodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150969", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADP-597", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150969, "molecule_chembl_id": "CHEMBL1951032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.56", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APD597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151178", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151178, "molecule_chembl_id": "CHEMBL1604074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.43", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ajmalicine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961636", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRUVANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961636, "molecule_chembl_id": "CHEMBL2104980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.90", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pruvanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145697", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXAVERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145697, "molecule_chembl_id": "CHEMBL2105060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Moxaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150394", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRONIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150394, "molecule_chembl_id": "CHEMBL137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METRONIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154056", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154056, "molecule_chembl_id": "CHEMBL2324347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1734"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149554", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMTHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149554, "molecule_chembl_id": "CHEMBL293762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "amthamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154058", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHIONE ZINC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154058, "molecule_chembl_id": "CHEMBL3392049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.71", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRITHIONE ZINC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153683, "molecule_chembl_id": "CHEMBL2177736", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.45", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRT062607 (P505-15; PRT2607; BIIB057) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148693", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148693, "molecule_chembl_id": "CHEMBL1732375", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-218"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CCN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LASOFOXIFENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154174, "molecule_chembl_id": "CHEMBL328190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.56", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lasofoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154131", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154131, "molecule_chembl_id": "CHEMBL1790039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.65", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Brilliant Green"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153610", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153610, "molecule_chembl_id": "CHEMBL54440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mevastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153148", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153148, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148643", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148643, "molecule_chembl_id": "CHEMBL477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Adenosine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149407", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149407, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Telaprevir (VX-950)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153152", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORAMAPIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153152, "molecule_chembl_id": "CHEMBL103667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.67", "alogp": "5.99", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BIRB 796 (Doramapimod)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153691", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153691, "molecule_chembl_id": "CHEMBL1144", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.53", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAVASTATIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149190", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-MERCAPTOBENZOTHIAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149190, "molecule_chembl_id": "CHEMBL111654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.26", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzo[d]thiazole-2(3H)-thione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153916", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153916, "molecule_chembl_id": "CHEMBL221753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.09", "alogp": "6.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZETHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148652", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148652, "molecule_chembl_id": "CHEMBL4303301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ticarcillin (disodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153699", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DISULFIRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153699, "molecule_chembl_id": "CHEMBL964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.55", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DISULFIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153704", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153704, "molecule_chembl_id": "CHEMBL4303311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.39", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Basic Fuchsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151420", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151420, "molecule_chembl_id": "CHEMBL514344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.96", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SANT-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153862", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGORAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153862, "molecule_chembl_id": "CHEMBL1946170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.82", "alogp": "5.69", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REGORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961507", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961507, "molecule_chembl_id": "CHEMBL2104137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.95", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145930", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145930, "molecule_chembl_id": "CHEMBL3589894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.60", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-01247324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149386", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149386, "molecule_chembl_id": "CHEMBL36633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Oxiracetam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC(O)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149387", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMBRALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149387, "molecule_chembl_id": "CHEMBL3948730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.56", "alogp": "6.66", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Umbralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152706", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152706, "molecule_chembl_id": "CHEMBL1093743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "trans-10;cis-12-Conjugated-linoleic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C=C\\CCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149345", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POZANICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149345, "molecule_chembl_id": "CHEMBL127071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pozanicline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncccc1OC[C@@H]1CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148216", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148216, "molecule_chembl_id": "CHEMBL4548959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.61", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JERVINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152686", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152686, "molecule_chembl_id": "CHEMBL543336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.91", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Voreloxin (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148228", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLAPREZINC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148228, "molecule_chembl_id": "CHEMBL242948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Carnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152697", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARUNDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152697, "molecule_chembl_id": "CHEMBL446452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Diindolylmethane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152698", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYCANTHONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152698, "molecule_chembl_id": "CHEMBL22077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.49", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hycanthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152804", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152804, "molecule_chembl_id": "CHEMBL570667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.42", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-262611"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147802", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSCARNET SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147802, "molecule_chembl_id": "CHEMBL754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.95", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FOSCARNET SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152310", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORAPAXAR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152310, "molecule_chembl_id": "CHEMBL493982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.59", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VORAPAXAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150824", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150824, "molecule_chembl_id": "CHEMBL115121", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "YM022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150845", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150845, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eltrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145981", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOLIBRESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145981, "molecule_chembl_id": "CHEMBL1232461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.90", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "I-BET-762"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147068", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147068, "molecule_chembl_id": "CHEMBL3739699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150855", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150855, "molecule_chembl_id": "CHEMBL1775048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oncrasin-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146285", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146285, "molecule_chembl_id": "CHEMBL155103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.21", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YZ9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc2ccc(O)cc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152867", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152867, "molecule_chembl_id": "CHEMBL6741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.17", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148277", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148277, "molecule_chembl_id": "CHEMBL4061538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.13", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PX-478 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.N[C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961374", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZARDAVERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961374, "molecule_chembl_id": "CHEMBL313842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.22", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zardaverine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145677", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145677, "molecule_chembl_id": "CHEMBL4068509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "561.47", "alogp": "3.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PRN1371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149836", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAXAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149836, "molecule_chembl_id": "CHEMBL385517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.42", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Saxagliptin (BMS-477118;Onglyza)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154353", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154353, "molecule_chembl_id": "CHEMBL137648", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "3'-fluorobenzylspiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27410.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154073", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELIRAGON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154073, "molecule_chembl_id": "CHEMBL3989929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.13", "alogp": "8.44", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "azeliragon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149573", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149573, "molecule_chembl_id": "CHEMBL1240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.40", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPANTHELINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961509", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARACHLOROPHENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961509, "molecule_chembl_id": "CHEMBL57053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "128.56", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PARACHLOROPHENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.893", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956585", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956585, "molecule_chembl_id": "CHEMBL3613749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.03", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2830371"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(Cl)cc1NCc1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150495", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150495, "molecule_chembl_id": "CHEMBL598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.79", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK3787"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149834", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149834, "molecule_chembl_id": "CHEMBL3961701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MS049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN1CCC(OCc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150809", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150809, "molecule_chembl_id": "CHEMBL2047851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-04859989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1Cc2ccccc2N(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146311", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINDAMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146311, "molecule_chembl_id": "CHEMBL1200588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLINDAMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146320", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARDOPRUNOX HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146320, "molecule_chembl_id": "CHEMBL2105649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.73", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pardoprunox (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cccc3[nH]c(=O)oc23)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146323", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZACOPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146323, "molecule_chembl_id": "CHEMBL1516756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.27", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zacopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146485", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOZADENANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146485, "molecule_chembl_id": "CHEMBL2105747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.51", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tozadenant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961311", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961311, "molecule_chembl_id": "CHEMBL457530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "asymmetrical-dimethylarginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961488", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961488, "molecule_chembl_id": "CHEMBL518800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CR8-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145910", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRAQUINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145910, "molecule_chembl_id": "CHEMBL55659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "anthraquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145911", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145911, "molecule_chembl_id": "CHEMBL1231797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.20", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Cyclohexyl-N'-(4-Iodophenyl)Urea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(I)cc1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150711", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150711, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150828", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150828, "molecule_chembl_id": "CHEMBL1301049", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.09", "alogp": "5.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PB49673382"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961378", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961378, "molecule_chembl_id": "CHEMBL4303710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.38", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-07662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2ccccc2c1CNC(=O)NCc1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146356", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYDAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146356, "molecule_chembl_id": "CHEMBL1528134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.87", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZYDAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150857", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150857, "molecule_chembl_id": "CHEMBL1086339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-5861528"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150867", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCENICLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150867, "molecule_chembl_id": "CHEMBL3137323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.31", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Encenicline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145675", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145675, "molecule_chembl_id": "CHEMBL407734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.31", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Acetylphenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154128", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORHEXIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154128, "molecule_chembl_id": "CHEMBL790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.46", "alogp": "4.18", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CHLORHEXIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149935", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINDOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149935, "molecule_chembl_id": "CHEMBL500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002264631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958470", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958470, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962810", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VINORELBINE TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962810, "molecule_chembl_id": "CHEMBL538943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1079.12", "alogp": "4.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Vinorelbine (ditartrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963178", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADEFOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963178, "molecule_chembl_id": "CHEMBL484", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.19", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Adefovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2CCOCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957812", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEBUXOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957812, "molecule_chembl_id": "CHEMBL1164729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.38", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FEBUXOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959836", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMYGDALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959836, "molecule_chembl_id": "CHEMBL461727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.43", "alogp": "-3.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Amygdalin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.957", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963640", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IROSUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963640, "molecule_chembl_id": "CHEMBL286738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.34", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "IROSUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964456", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964456, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "exifone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959763", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959763, "molecule_chembl_id": "CHEMBL3291084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.29", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-23597-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961971", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPICATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961971, "molecule_chembl_id": "CHEMBL36327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.38", "alogp": "2.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(-)-Epicatechin gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961989", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUMATRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961989, "molecule_chembl_id": "CHEMBL128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.41", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUMATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962319", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962319, "molecule_chembl_id": "CHEMBL1230714", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K02288"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.899", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3cccc(O)c3)cnc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960374", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960374, "molecule_chembl_id": "CHEMBL381638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBC-293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nnc2cc(C(=O)O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962336", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962336, "molecule_chembl_id": "CHEMBL1411333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.24", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.922", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962798", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962798, "molecule_chembl_id": "CHEMBL1214141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "547.54", "alogp": "6.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958200", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958200, "molecule_chembl_id": "CHEMBL2315265", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.25", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-336893"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957082", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957082, "molecule_chembl_id": "CHEMBL3335790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "594.74", "alogp": "4.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AP-III-a4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOCCOCCNC(=O)Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc(NCC3CCCCC3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959287", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959287, "molecule_chembl_id": "CHEMBL1624380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-04-5595"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)C(CCc1ccc(Cl)cc1)N(C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957088", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957088, "molecule_chembl_id": "CHEMBL2037226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "535.50", "alogp": "7.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-5837"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960633", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960633, "molecule_chembl_id": "CHEMBL1711959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.31", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-54494A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959476", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959476, "molecule_chembl_id": "CHEMBL1457550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPICAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955508", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955508, "molecule_chembl_id": "CHEMBL1236602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-urocanic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964085", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAVOLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964085, "molecule_chembl_id": "CHEMBL3334567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.37", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Savolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963688", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963688, "molecule_chembl_id": "CHEMBL1990168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "297.72", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BTB1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.877", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959084", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASCORBYL PALMITATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959084, "molecule_chembl_id": "CHEMBL220190", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.54", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASCORBYL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963692", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963692, "molecule_chembl_id": "CHEMBL2094620", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959492", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYCOPYRRONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959492, "molecule_chembl_id": "CHEMBL1201335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.44", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYCOPYRROLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959629", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METAXALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959629, "molecule_chembl_id": "CHEMBL1079604", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METAXALONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.879", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959552", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959552, "molecule_chembl_id": "CHEMBL1474552", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EQUILIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959507", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959507, "molecule_chembl_id": "CHEMBL2032211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TC-I-2000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959634", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABACAVIR SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959634, "molecule_chembl_id": "CHEMBL1200619", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.42", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABACAVIR SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963902", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HORDENINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963902, "molecule_chembl_id": "CHEMBL505789", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "165.24", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hordenine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963791", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOSCAPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963791, "molecule_chembl_id": "CHEMBL2106732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.89", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOSCAPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959308", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACENOCOUMAROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959308, "molecule_chembl_id": "CHEMBL397420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.33", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acenocoumarin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960149", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLCAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960149, "molecule_chembl_id": "CHEMBL1324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "273.24", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolcapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960152", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960152, "molecule_chembl_id": "CHEMBL3187798", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.26", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OAC1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.605", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc2cc[nH]c2cn1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960159, "molecule_chembl_id": "CHEMBL1593717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-162846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CCCCn1ccc(/N=C(\\N)NCC(F)(F)F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955673", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955673, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963278", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963278, "molecule_chembl_id": "CHEMBL1271993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.61", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963471", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963471, "molecule_chembl_id": "CHEMBL1409793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.61", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chloroxoquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958321", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NISOLDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958321, "molecule_chembl_id": "CHEMBL1726", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.42", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NISOLDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963152", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963152, "molecule_chembl_id": "CHEMBL1628690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-804598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.919", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960129", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960129, "molecule_chembl_id": "CHEMBL1625681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.35", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXAMETHONIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960138, "molecule_chembl_id": "CHEMBL332524", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.19", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXAMETHONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAPHENAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960142, "molecule_chembl_id": "CHEMBL1109", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAPHENAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960341", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASQUINIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960341, "molecule_chembl_id": "CHEMBL2107784", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.36", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tasquinimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956826", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEROPENEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956826, "molecule_chembl_id": "CHEMBL127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960353", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPIDIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960353, "molecule_chembl_id": "CHEMBL345124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "668.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propidium-iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "76.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[I-].[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960355", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW501516", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960355, "molecule_chembl_id": "CHEMBL38943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.51", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GW 501516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955842", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENOFOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955842, "molecule_chembl_id": "CHEMBL483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.22", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tenofovir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961966", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALADEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961966, "molecule_chembl_id": "CHEMBL2142592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.51", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Taladegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960532", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960532, "molecule_chembl_id": "CHEMBL4210419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.48", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LB42708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960478", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DECOQUINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960478, "molecule_chembl_id": "CHEMBL416230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.55", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Decoquinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.424", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959235", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959235, "molecule_chembl_id": "CHEMBL1457003", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "289.74", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINETHAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.429", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963006", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMOPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963006, "molecule_chembl_id": "CHEMBL399510", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.25", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BROMOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963320", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW786460X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963320, "molecule_chembl_id": "CHEMBL185238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.33", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RepSox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.197", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958625", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LISOFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958625, "molecule_chembl_id": "CHEMBL1411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.33", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(\u00b1)-Lisofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959982", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETHOPRIM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959982, "molecule_chembl_id": "CHEMBL22", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETHOPRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962521", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962521, "molecule_chembl_id": "CHEMBL4064277", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.36", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SRPIN340"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.019", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958181", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958181, "molecule_chembl_id": "CHEMBL1559419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-218040"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958188", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958188, "molecule_chembl_id": "CHEMBL1256101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.62", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorobenzylidene malononitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958400", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958400, "molecule_chembl_id": "CHEMBL1411717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.28", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BF-170 hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-130.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958637", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958637, "molecule_chembl_id": "CHEMBL513136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.56", "alogp": "5.91", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCH-221510"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.839", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(O)(c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962142, "molecule_chembl_id": "CHEMBL1236095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "676.74", "alogp": "5.82", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NMS-P715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959839", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IXABEPILONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959839, "molecule_chembl_id": "CHEMBL1201752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.71", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ixabepilone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964451", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-MERCAPTOBENZOTHIAZOLE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964451, "molecule_chembl_id": "CHEMBL111654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.26", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzo[d]thiazole-2(3H)-thione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Sc1nc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955789", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955789, "molecule_chembl_id": "CHEMBL3183495", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Safranal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C=O)C(C)(C)CC=C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961886", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETRETINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961886, "molecule_chembl_id": "CHEMBL464", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Etretinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961887", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961887, "molecule_chembl_id": "CHEMBL1956071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.36", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-772077B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@H](N)C3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961888", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961888, "molecule_chembl_id": "CHEMBL1558", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.87", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.957", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961872", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CG-400549", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961872, "molecule_chembl_id": "CHEMBL488937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.45", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1-(3-amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961880", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYODEOXYCHOLIC_ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961880, "molecule_chembl_id": "CHEMBL272621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Hyodeoxycholic_acid (HDCA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.852", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956069", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENEBRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956069, "molecule_chembl_id": "CHEMBL4065122", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "664.81", "alogp": "3.57", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Fenebrutinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960442", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUTEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960442, "molecule_chembl_id": "CHEMBL173929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.89", "alogp": "10.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "lutein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956071", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956071, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olcegepant\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956072", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956072, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BMS-599626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960239", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960239, "molecule_chembl_id": "CHEMBL4303688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "499.53", "alogp": "-0.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGS 21680 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958831", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENFLUOREX HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958831, "molecule_chembl_id": "CHEMBL1412305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.83", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFLUOREX HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962457", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962457, "molecule_chembl_id": "CHEMBL239767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.14", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-225002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.605", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963590", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "R-306465", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963590, "molecule_chembl_id": "CHEMBL609583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.46", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R306465"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963591", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963591, "molecule_chembl_id": "CHEMBL4072005", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC-707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960935", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOMEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960935, "molecule_chembl_id": "CHEMBL1476022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "nomegestrol-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956161", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUMATRIPTAN SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956161, "molecule_chembl_id": "CHEMBL1201150", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SUMATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960938", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYL-L-LEUCINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960938, "molecule_chembl_id": "CHEMBL56021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETYL-L-LEUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(C)C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956168", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "rel-RITODRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956168, "molecule_chembl_id": "CHEMBL489553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RITODRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960094", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960094, "molecule_chembl_id": "CHEMBL471728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.61", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GANT-61"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.315", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960952", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960952, "molecule_chembl_id": "CHEMBL3189135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.67", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1S;2R-PHENYLPROPANOLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955639", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINDAMYCIN PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955639, "molecule_chembl_id": "CHEMBL3184512", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.97", "alogp": "0.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clindamycin phosphate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960114", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960114, "molecule_chembl_id": "CHEMBL3040440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PND-1186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.272", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960277", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIMUSTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960277, "molecule_chembl_id": "CHEMBL136737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.70", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nimustine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960623", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIETHYLSTILBESTROL DIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960623, "molecule_chembl_id": "CHEMBL1200598", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.31", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "3-Hexene-3;4-diylbis(4;1-phenylene)bis[dihydrogen (phosphate)]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955847", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955847, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955909", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955909, "molecule_chembl_id": "CHEMBL6259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.40", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Difloxacin hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958328", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958328, "molecule_chembl_id": "CHEMBL4557365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.42", "alogp": "0.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S-(4-nitrobenzyl)-6-thioinosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958332", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958332, "molecule_chembl_id": "CHEMBL45245", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6(5H)-Phenanthridinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962938", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYL P-TOLUENESULFONYL-L-ARGININATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962938, "molecule_chembl_id": "CHEMBL44752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.42", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962329", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HKI-357", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962329, "molecule_chembl_id": "CHEMBL178654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "574.06", "alogp": "6.68", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "HKI-357"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955920", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955920, "molecule_chembl_id": "CHEMBL4303294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ethimizol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc(C(=O)NC)c1C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957737", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-2886721", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957737, "molecule_chembl_id": "CHEMBL2396989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2886721"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962339", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962339, "molecule_chembl_id": "CHEMBL1230001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.38", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-1120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957747", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEMAXANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957747, "molecule_chembl_id": "CHEMBL276711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.29", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMAXANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955992", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955992, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cromakalim\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXALOACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962454, "molecule_chembl_id": "CHEMBL1794791", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "132.07", "alogp": "-0.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "oxaloacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957744", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957744, "molecule_chembl_id": "CHEMBL1652609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "822.95", "alogp": "4.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "RIFAMPICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957843, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NVP-AUY922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956776", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956776, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "curcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957066", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957066, "molecule_chembl_id": "CHEMBL3360305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HSP-990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964391", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964391, "molecule_chembl_id": "CHEMBL1449651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.30", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-dithiocarbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "N.S=C(S)N1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959562", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SORBINIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959562, "molecule_chembl_id": "CHEMBL266497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "sorbinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964252", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.52", "bao_label": "assay format", "molecule_pref_name": "APIGENIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964252, "molecule_chembl_id": "CHEMBL28", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Apigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3020.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958210", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBARIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958210, "molecule_chembl_id": "CHEMBL46917", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "carbaryl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963426", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N6022", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963426, "molecule_chembl_id": "CHEMBL1738699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "N6022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959535", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959535, "molecule_chembl_id": "CHEMBL4303426", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.40", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(1;2-Diphenylethyl)piperidine-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CC(c2ccccc2)N2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956829, "molecule_chembl_id": "CHEMBL421942", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.11", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WHI-P97"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959146", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALGANCICLOVIR HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959146, "molecule_chembl_id": "CHEMBL1200454", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.83", "alogp": "-1.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VALGANCICLOVIR HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963754", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963754, "molecule_chembl_id": "CHEMBL2442052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.51", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M8-B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958937", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROCYCLIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958937, "molecule_chembl_id": "CHEMBL1761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.91", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCYCLIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958940", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VGX-1027", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958940, "molecule_chembl_id": "CHEMBL1320667", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "VGX-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.538", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC1CC(c2ccccc2)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959157", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRL-15,572", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959157, "molecule_chembl_id": "CHEMBL534232", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.96", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-15572"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958226", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958226, "molecule_chembl_id": "CHEMBL1444120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 2 [PMID: 25408830]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963571", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963571, "molecule_chembl_id": "CHEMBL4303182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.80", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EN460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958575", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZALTOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958575, "molecule_chembl_id": "CHEMBL1765291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zaltoprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.897", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959793", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFANILAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959793, "molecule_chembl_id": "CHEMBL21", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFANILAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964019, "molecule_chembl_id": "CHEMBL2361504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.12", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyridoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CN)c1O.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963716", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REMIMAZOLAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963716, "molecule_chembl_id": "CHEMBL4297526", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.31", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Remimazolam (benzenesulfonate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959126", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959126, "molecule_chembl_id": "CHEMBL3039230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1422.72", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BACITRACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NCCCCC2NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPERMIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957127, "molecule_chembl_id": "CHEMBL19612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.25", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPERMIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957141", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOTALOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957141, "molecule_chembl_id": "CHEMBL471", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.37", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOTALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957142", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957142, "molecule_chembl_id": "CHEMBL484928", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.27", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL 50481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962099", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962099, "molecule_chembl_id": "CHEMBL3753077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW-55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957901", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUCITANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957901, "molecule_chembl_id": "CHEMBL2220486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.50", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LUCITANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957099", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957099, "molecule_chembl_id": "CHEMBL3991932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "556.64", "alogp": "6.07", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "pexmetinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962260", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAR-407899", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962260, "molecule_chembl_id": "CHEMBL3545341", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.76", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SAR407899 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1[nH]ccc2cc(OC3CCNCC3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957663", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAZABEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957663, "molecule_chembl_id": "CHEMBL279390", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.64", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LAZABEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNC(=O)c1ccc(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961726", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANOFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961726, "molecule_chembl_id": "CHEMBL2106153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.49", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danofloxacin Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "123.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961737", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROADIFEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961737, "molecule_chembl_id": "CHEMBL347036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.97", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROADIFEN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.914", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHYNODIOL DIACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961738, "molecule_chembl_id": "CHEMBL1200624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHYNODIOL DIACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961700", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETRIXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961700, "molecule_chembl_id": "CHEMBL512351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.91", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betrixaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.906", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960959", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960959, "molecule_chembl_id": "CHEMBL2331803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.75", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-60-0175 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960112", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFEROXAMINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960112, "molecule_chembl_id": "CHEMBL1234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "656.80", "alogp": "0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "deferoxamine-mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960679", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960679, "molecule_chembl_id": "CHEMBL1235119", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "338.25", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC669"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958329", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958329, "molecule_chembl_id": "CHEMBL266347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "614.65", "alogp": "-8.90", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "framycetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955715", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955715, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-Benzylguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955966", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955966, "molecule_chembl_id": "CHEMBL2324347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN1734"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960691", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIFLUNISAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960691, "molecule_chembl_id": "CHEMBL898", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.20", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIFLUNISAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.379", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955967", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SORAFENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955967, "molecule_chembl_id": "CHEMBL1336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.83", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sorafenib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960742", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960742, "molecule_chembl_id": "CHEMBL3185084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.64", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCRALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956013", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELIPRODIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956013, "molecule_chembl_id": "CHEMBL28564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Eliprodil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962331", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962331, "molecule_chembl_id": "CHEMBL4303601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ONO-4817"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(Oc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962514", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962514, "molecule_chembl_id": "CHEMBL444449", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.37", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAP-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.909", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957913", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957913, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+)-JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960704", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960704, "molecule_chembl_id": "CHEMBL1363184", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY303511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960766", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINEPTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960766, "molecule_chembl_id": "CHEMBL418995", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amineptine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962445", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962445, "molecule_chembl_id": "CHEMBL45281", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.20", "alogp": "6.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NBI-27914"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957848", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELICICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957848, "molecule_chembl_id": "CHEMBL14762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.46", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(R)-Roscovitine; Roscovitine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957936", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957936, "molecule_chembl_id": "CHEMBL3646117", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.33", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IOX4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963578", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPYRIDAMOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963578, "molecule_chembl_id": "CHEMBL932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.64", "alogp": "-0.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DIPYRIDAMOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.034", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963587", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963587, "molecule_chembl_id": "CHEMBL4303564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.51", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-79948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958873", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROPAFENONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958873, "molecule_chembl_id": "CHEMBL1201063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.91", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPAFENONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.959", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958992", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958992, "molecule_chembl_id": "CHEMBL2111857", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.31", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-52537"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958024", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958024, "molecule_chembl_id": "CHEMBL1356238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "127.17", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1ccccc1S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963286", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SETANAXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963286, "molecule_chembl_id": "CHEMBL4303187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.86", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GKT137831"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELADELPAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956186, "molecule_chembl_id": "CHEMBL230158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.47", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SELADELPAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962630", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEPRYLCAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962630, "molecule_chembl_id": "CHEMBL2104800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPRYLCAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(C)(C)COC(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958758", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MISONIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958758, "molecule_chembl_id": "CHEMBL42161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.18", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "misonidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.504", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(O)Cn1ccnc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963201", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963201, "molecule_chembl_id": "CHEMBL1209431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.24", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCN 238"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(/C=C/c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958972", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOMATROPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958972, "molecule_chembl_id": "CHEMBL1618018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Homatropine Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958711", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958711, "molecule_chembl_id": "CHEMBL1314877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.26", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENILCONAZOLE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963475", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SINOMENINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963475, "molecule_chembl_id": "CHEMBL248095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.40", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sinomenine (Cucoline)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960182", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVATANEPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960182, "molecule_chembl_id": "CHEMBL563646", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Evatanepag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955654", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBAZOCHROME SULFONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955654, "molecule_chembl_id": "CHEMBL1697827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbazochrome sodium sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2=CC(=O)/C(=N\\NC(N)=O)C=C2CC1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AN-2718", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960683, "molecule_chembl_id": "CHEMBL211538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.39", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "AN2718"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.088", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(Cl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960688", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960688, "molecule_chembl_id": "CHEMBL149518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.63", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JLK-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1oc(=O)c2cc(N)ccc2c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957266, "molecule_chembl_id": "CHEMBL3769507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.56", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BRD9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "113.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957267", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SENICAPOC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957267, "molecule_chembl_id": "CHEMBL405821", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SENICAPOC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961867", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961867, "molecule_chembl_id": "CHEMBL4303501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.58", "alogp": "3.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S26948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957285", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957285, "molecule_chembl_id": "CHEMBL3629569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NLG919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CC1c2ccccc2-c2cncn21)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957286", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957286, "molecule_chembl_id": "CHEMBL3590106", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.34", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ulixertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959251", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959251, "molecule_chembl_id": "CHEMBL4303579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Sodium stibogluconate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956039", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEDRATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956039, "molecule_chembl_id": "CHEMBL1287853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.69", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fedratinib hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960261", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CICLOPIROX OLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960261, "molecule_chembl_id": "CHEMBL242580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CICLOPIROX OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960825", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORAMPHENICOL SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960825, "molecule_chembl_id": "CHEMBL1200729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.19", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMPHENICOL SODIUM SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960268", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960268, "molecule_chembl_id": "CHEMBL2179387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-1(PF-6405761)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2924", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959441", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORGESTIMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959441, "molecule_chembl_id": "CHEMBL1200934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORGESTIMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956080", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCCINOBUCOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956080, "molecule_chembl_id": "CHEMBL83626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "616.93", "alogp": "9.97", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Succinobucol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960860", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOXYCORTICOSTERONE PIVALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960860, "molecule_chembl_id": "CHEMBL1200592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "desoxycorticosterone-pivalate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955690", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GUANABENZ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955690, "molecule_chembl_id": "CHEMBL420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.09", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanabenz acetate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N/N=C/c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959749", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RILMENIDINE HEMIFUMARATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959749, "molecule_chembl_id": "CHEMBL1256674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.32", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rilmenidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.741", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1COC(NC(C2CC2)C2CC2)=N1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959750", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDATRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959750, "molecule_chembl_id": "CHEMBL1256749", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.67", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.997", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964360", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964360, "molecule_chembl_id": "CHEMBL1474701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INCA-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959851", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RACLOPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959851, "molecule_chembl_id": "CHEMBL8809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.24", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SAM001247072"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956126", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956126, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EVACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956141", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956141, "molecule_chembl_id": "CHEMBL4576375", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.68", "alogp": "3.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CPI-169"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CCC(C(C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960923", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960923, "molecule_chembl_id": "CHEMBL1491962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.45", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0240551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956747", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956747, "molecule_chembl_id": "CHEMBL3092537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ME0328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961721", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZAPERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961721, "molecule_chembl_id": "CHEMBL340211", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZAPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960318", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(S)-PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960318, "molecule_chembl_id": "CHEMBL545328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXPROPRANOLOL HYDROCHLORIDE [R(+)]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960669", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960669, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG 900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963249", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963249, "molecule_chembl_id": "CHEMBL1601095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.22", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCCCC1)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963254", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963254, "molecule_chembl_id": "CHEMBL300389", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.83", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-60474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959045", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959045, "molecule_chembl_id": "CHEMBL3039186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.47", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.749", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958264", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958264, "molecule_chembl_id": "CHEMBL1616891", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959264", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959264, "molecule_chembl_id": "CHEMBL303516", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.13", "alogp": "1.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-161503"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962896", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962896, "molecule_chembl_id": "CHEMBL2057912", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.44", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCI-29732"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVISOPRENALINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958614, "molecule_chembl_id": "CHEMBL460574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOPROTERENOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955848", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYCOPHENOLATE MOFETIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955848, "molecule_chembl_id": "CHEMBL1456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "433.50", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate mofetil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955889", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955889, "molecule_chembl_id": "CHEMBL4303595", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.05", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bonaphthone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=Cc2cc(Br)ccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955542", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPRODISATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955542, "molecule_chembl_id": "CHEMBL2111092", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.22", "alogp": "-0.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Eprodisate disodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)CCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958370", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958370, "molecule_chembl_id": "CHEMBL37549", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-METHOXY-N-CYCLOPROPANOYLTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955605", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955605, "molecule_chembl_id": "CHEMBL4303387", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.30", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FK-962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959821", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959821, "molecule_chembl_id": "CHEMBL3617053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.56", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-121431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962769", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-743921", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962769, "molecule_chembl_id": "CHEMBL2325429", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.07", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "SB-743921"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963786", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAPIRIMUS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963786, "molecule_chembl_id": "CHEMBL2105168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.30", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "napirimus"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C(=O)c2cccc3ccccc23)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962771", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACECLOFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962771, "molecule_chembl_id": "CHEMBL93645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACECLOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963915", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963915, "molecule_chembl_id": "CHEMBL1563246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "stetaderm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960643", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETANAPHTHOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960643, "molecule_chembl_id": "CHEMBL14126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "144.17", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Naphthol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.564", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959829, "molecule_chembl_id": "CHEMBL303958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.29", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU6027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.828", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959257", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959257, "molecule_chembl_id": "CHEMBL305242", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.53", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEDROXYPROGESTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960301", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960301, "molecule_chembl_id": "CHEMBL1256915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eseroline-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962394", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANCOMYCIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962394, "molecule_chembl_id": "CHEMBL1200628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1485.73", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "VANCOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962395", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALIBENDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962395, "molecule_chembl_id": "CHEMBL2105999", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "0.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alibendol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.573", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957795", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957795, "molecule_chembl_id": "CHEMBL2069623", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.82", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4800567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962401", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962401, "molecule_chembl_id": "CHEMBL296407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.19", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-99"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960183", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPRODISATE DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960183, "molecule_chembl_id": "CHEMBL2107338", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.19", "alogp": "-0.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "EPRODISATE DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)([O-])CCCS(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958090", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958090, "molecule_chembl_id": "CHEMBL34964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.02", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Benzo[B]Thiophene-2-Boronic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959589", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CITICOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959589, "molecule_chembl_id": "CHEMBL1618340", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "489.34", "alogp": "-1.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "citicoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958266, "molecule_chembl_id": "CHEMBL404271", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "acarbose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964049", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASPARTIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964049, "molecule_chembl_id": "CHEMBL274323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "133.10", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Aspartic-Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959446", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOTIAM HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959446, "molecule_chembl_id": "CHEMBL1200589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.10", "alogp": "-0.65", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefotiam Hexetil Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964335", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964335, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960631", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960631, "molecule_chembl_id": "CHEMBL269881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.30", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NU-2058"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960229", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960229, "molecule_chembl_id": "CHEMBL77675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.27", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "diphenylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccccc1)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964199", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.41", "bao_label": "assay format", "molecule_pref_name": "LANSOPRAZOLE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964199, "molecule_chembl_id": "CHEMBL480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.37", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lansoprazole\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "390.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959225", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDRAMANTONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959225, "molecule_chembl_id": "CHEMBL2105062", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDRAMANTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.605", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C2CC3CC1CC(O)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964328", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964328, "molecule_chembl_id": "CHEMBL4303154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "540.52", "alogp": "-0.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Oleuropein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960817", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMAGEDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960817, "molecule_chembl_id": "CHEMBL1256292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "110.55", "alogp": "-1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIMAGEDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961770", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIBENZOTHIOPHENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961770, "molecule_chembl_id": "CHEMBL219828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.26", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIBENZOTHIOPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)sc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956946", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956946, "molecule_chembl_id": "CHEMBL139367", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PERAMIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957678", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIETHYLSTILBESTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957678, "molecule_chembl_id": "CHEMBL411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLSTILBESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957682", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957682, "molecule_chembl_id": "CHEMBL2064666", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.08", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-28122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962283", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIPAZEPAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962283, "molecule_chembl_id": "CHEMBL159298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ripazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C)c2c1C(c1ccccc1)=NCC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FADROZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957685, "molecule_chembl_id": "CHEMBL9298", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FADROZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C2CCCc3cncn32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957394", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VELIPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957394, "molecule_chembl_id": "CHEMBL506871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.30", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VELIPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961701", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DORIPENEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961701, "molecule_chembl_id": "CHEMBL491571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doripenem (monohydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.858", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957103", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957103, "molecule_chembl_id": "CHEMBL1354658", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.36", "alogp": "5.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BAY 59-3074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961709", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961709, "molecule_chembl_id": "CHEMBL1401324", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.42", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-554"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957111", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-5207852", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957111, "molecule_chembl_id": "CHEMBL129542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-5207852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961949", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAE-684", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961949, "molecule_chembl_id": "CHEMBL509032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "614.22", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAE684 (NVP-TAE684)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957403", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957403, "molecule_chembl_id": "CHEMBL3393348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06447475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957119", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957119, "molecule_chembl_id": "CHEMBL132778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.50", "alogp": "5.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D4-abiraterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962005", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962005, "molecule_chembl_id": "CHEMBL426161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.95", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZM-475271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955899", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISBUFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955899, "molecule_chembl_id": "CHEMBL1453416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isbufylline\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960738, "molecule_chembl_id": "CHEMBL1613220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.47", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMN-082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960743", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960743, "molecule_chembl_id": "CHEMBL483059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.59", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dynole-34-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CCCN(C)C)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960728", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960728, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Zanamivir (Relenza)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.989", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956785", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956785, "molecule_chembl_id": "CHEMBL80713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957924", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957924, "molecule_chembl_id": "CHEMBL179583", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chk2 inhibitor II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962526", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962526, "molecule_chembl_id": "CHEMBL569766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.28", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "G-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961776", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961776, "molecule_chembl_id": "CHEMBL4303207", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.74", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(chloromethyl)-5;6;7;8-tetrahydro[1]benzothieno[2;3-d]pyrimidin-4(3H)-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.301", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(CCl)nc2sc3c(c12)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957184, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IVACAFTOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962275", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962275, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDOMETHACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957679", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-431542", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957679, "molecule_chembl_id": "CHEMBL440084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-431542"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962287", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962287, "molecule_chembl_id": "CHEMBL1553629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.96", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Org 27569"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956028", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956028, "molecule_chembl_id": "CHEMBL4303372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antineoplaston AS2-5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960807", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOROURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960807, "molecule_chembl_id": "CHEMBL185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "130.08", "alogp": "-0.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-FU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(F)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956037", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956037, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Mozavaptan hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962294", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962294, "molecule_chembl_id": "CHEMBL39221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;5-DHPG-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960741", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960741, "molecule_chembl_id": "CHEMBL1553978", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.12", "alogp": "7.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Benzyldimethylhexadecylammonium chloride hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956937", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956937, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-1775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963407", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOFEPRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963407, "molecule_chembl_id": "CHEMBL87708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.97", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "lofepramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "64.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958806", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MENADIONE SODIUM BISULPHITE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958806, "molecule_chembl_id": "CHEMBL2358118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.24", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "menadione-bisulfite"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.807", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958769", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958769, "molecule_chembl_id": "CHEMBL4303498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oxymetholone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.402", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC(C=O)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963053", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCH-900776", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963053, "molecule_chembl_id": "CHEMBL2386889", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.26", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-8776 (SCH 900776)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.219", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964434", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EBSELEN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964434, "molecule_chembl_id": "CHEMBL51085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "274.18", "alogp": null, "num_ro5_violations": null, "max_phase": 2, "compound_key": "EBSELEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2[se]n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962408", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962408, "molecule_chembl_id": "CHEMBL50267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.06", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5;7-dichlorokynurenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959234", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(R)-VILOXAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959234, "molecule_chembl_id": "CHEMBL250052", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.30", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "viloxazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.845", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OC[C@H]1CNCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963528", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963528, "molecule_chembl_id": "CHEMBL4303640", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MR-948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCc1ccc(OCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963529", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOWH-032", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963529, "molecule_chembl_id": "CHEMBL4297392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "545.19", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "IOWH 032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963566", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVIBACTAM SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963566, "molecule_chembl_id": "CHEMBL2107817", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.23", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Avibactam (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963729", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIFLUOPERAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963729, "molecule_chembl_id": "CHEMBL1257040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.43", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIFLUOPERAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963548", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOVOBIOCIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963548, "molecule_chembl_id": "CHEMBL3183453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "634.61", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "NOVOBIOCIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964384", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964384, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "baicalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957714", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "A-317491", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957714, "molecule_chembl_id": "CHEMBL596234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.58", "alogp": "6.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-317491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957819", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIRATRICOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957819, "molecule_chembl_id": "CHEMBL41632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "621.93", "alogp": "4.63", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TIRATRICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959253", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959253, "molecule_chembl_id": "CHEMBL22304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.21", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CN(CCCP(=O)(O)O)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964346", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964346, "molecule_chembl_id": "CHEMBL1256915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "eseroline-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960234", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENBUFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960234, "molecule_chembl_id": "CHEMBL277522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "3a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963950", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLUIDINE BLUE O", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963950, "molecule_chembl_id": "CHEMBL562639", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.83", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960282", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960282, "molecule_chembl_id": "CHEMBL3186128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.87", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KY02111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959704", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959704, "molecule_chembl_id": "CHEMBL3770936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.87", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tubastatin A hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.725", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964518", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964518, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959973", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959973, "molecule_chembl_id": "CHEMBL4303450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "497.64", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tebipenem pivoxil (L-084)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.331", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@H](C)O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959765", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959765, "molecule_chembl_id": "CHEMBL3355096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "622.88", "alogp": "4.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ginsenoside C-K"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963957", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963957, "molecule_chembl_id": "CHEMBL473136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.52", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-funaltrexamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960288", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960288, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959939", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RILPIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959939, "molecule_chembl_id": "CHEMBL175691", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.43", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rilpivirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-36.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959760", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959760, "molecule_chembl_id": "CHEMBL3092807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.59", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2250"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.537", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960655", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORAZANIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960655, "molecule_chembl_id": "CHEMBL2104101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "258.11", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORAZANIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960599", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATOMOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960599, "molecule_chembl_id": "CHEMBL1702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.82", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ATOMOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.754", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955823", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955823, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cabozantinib S-malate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959197", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHOHEXADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959197, "molecule_chembl_id": "CHEMBL1451179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.23", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-ethyl-1;3-hexanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(O)C(CC)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959201", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959201, "molecule_chembl_id": "CHEMBL436031", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.52", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BNTX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccccc2)C[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959933", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959933, "molecule_chembl_id": "CHEMBL1774154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1121.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "SM-164"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959138, "molecule_chembl_id": "CHEMBL435582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.46", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-404187"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959907", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DRONEDARONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959907, "molecule_chembl_id": "CHEMBL1201729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "593.23", "alogp": "7.05", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dronedarone HCl (Multaq)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.476", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964520, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959417", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXITRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959417, "molecule_chembl_id": "CHEMBL350221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-hydroxytryptophan (5-HTP)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.378", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964027", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964027, "molecule_chembl_id": "CHEMBL693", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.43", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959385", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959385, "molecule_chembl_id": "CHEMBL1446716", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.76", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SULCONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959083", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959083, "molecule_chembl_id": "CHEMBL4303730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.57", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bimatoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959085", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959085, "molecule_chembl_id": "CHEMBL601661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "519.61", "alogp": "3.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-125132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955536", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAMIPROSATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955536, "molecule_chembl_id": "CHEMBL149082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "139.18", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Homotaurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959912, "molecule_chembl_id": "CHEMBL1200701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.33", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153591", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153591, "molecule_chembl_id": "CHEMBL3039178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.49", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUININE ETHYL CARBONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959540", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GABAPENTIN ENACARBIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959540, "molecule_chembl_id": "CHEMBL1628502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.39", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gabapentin-enacarbil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.721", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960592", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960592, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208(RVX-000222)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.387", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955820", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABEXINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955820, "molecule_chembl_id": "CHEMBL2103863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Abexinostat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955821", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955821, "molecule_chembl_id": "CHEMBL356066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dacinostat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959079", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959079, "molecule_chembl_id": "CHEMBL4303474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.80", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CEPHALOSPORIN C Zn"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C2C(=O)O[Zn]OC(=O)C(N)CCCC(=O)N[C@@H]3C(=O)N2C3SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959512", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959512, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "brefeldin-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959674", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959674, "molecule_chembl_id": "CHEMBL1522710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fumagillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.071", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963996", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADEFOVIR DIPIVOXIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963996, "molecule_chembl_id": "CHEMBL922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "501.48", "alogp": "2.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Adefovir Dipivoxil (Preveon; Hepsera)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4186", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959676", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHOSUXIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959676, "molecule_chembl_id": "CHEMBL696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "141.17", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHOSUXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.635", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955572", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955572, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960617", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRANTEL PAMOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960617, "molecule_chembl_id": "CHEMBL1599768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "594.69", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyrantel (pamoate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960586", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960586, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LDE225 (NVP-LDE225; Erismodegib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959242", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDELOXAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959242, "molecule_chembl_id": "CHEMBL2105022", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indeloxazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=Cc2cccc(OCC3CNCCO3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957529", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADP-597", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957529, "molecule_chembl_id": "CHEMBL1951032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.56", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APD597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964065", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964065, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "melatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963863", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMINAZENE DIACETURATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963863, "molecule_chembl_id": "CHEMBL380216", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.53", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMINAZENE ACETURATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.836", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959262", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URSOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959262, "molecule_chembl_id": "CHEMBL169", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ursolic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959486", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959486, "molecule_chembl_id": "CHEMBL1357932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-carboxy-3-hydroxyphenylglycine-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959488", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959488, "molecule_chembl_id": "CHEMBL1230845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxyamphetamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959727", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959727, "molecule_chembl_id": "CHEMBL23996", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nitisinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLPREDNISOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959171, "molecule_chembl_id": "CHEMBL650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959875", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959875, "molecule_chembl_id": "CHEMBL1697690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-177864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964484", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964484, "molecule_chembl_id": "CHEMBL1886408", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "240.30", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Felbinac ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960171, "molecule_chembl_id": "CHEMBL1414870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.29", "alogp": "1.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ambazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)N=Nc1ccc(NNC(=N)S)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959048", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959048, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TENATOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964501", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRITHIONE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964501, "molecule_chembl_id": "CHEMBL1356238", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "127.17", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRITHIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1ccccc1S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959210", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PX-12", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959210, "molecule_chembl_id": "CHEMBL406050", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.32", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PX-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)SSc1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960436", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960436, "molecule_chembl_id": "CHEMBL1445061", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-22394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1c2c(c3ccccc31)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960231", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960231, "molecule_chembl_id": "CHEMBL1212994", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.86", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU10010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963970", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963970, "molecule_chembl_id": "CHEMBL117405", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.33", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pindolol-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963973", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963973, "molecule_chembl_id": "CHEMBL45349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.71", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-191011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963683, "molecule_chembl_id": "CHEMBL3108827", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1015.31", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AZD5582"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962145", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DORSOMORPHIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962145, "molecule_chembl_id": "CHEMBL478629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.50", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dorsomorphin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955890", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLOPATADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955890, "molecule_chembl_id": "CHEMBL1189432", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olopatadine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147753", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMUSTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147753, "molecule_chembl_id": "CHEMBL514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.70", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=NN(CCCl)C(=O)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148910", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148910, "molecule_chembl_id": "CHEMBL231616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.25", "alogp": "-0.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=S)N/N=C/c1ncccc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153415", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENAZEPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153415, "molecule_chembl_id": "CHEMBL1694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.96", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENAZEPRIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147718", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPRENAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147718, "molecule_chembl_id": "CHEMBL116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.64", "alogp": "2.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "AMPRENAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149003", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149003, "molecule_chembl_id": "CHEMBL283807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.22", "alogp": "-2.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152195", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYLOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152195, "molecule_chembl_id": "CHEMBL42743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "916.11", "alogp": "1.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TYLOSIN TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149820", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POTASSIUM IODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149820, "molecule_chembl_id": "CHEMBL1141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.00", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Potassium iodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[I-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154602", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154602, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.05", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154606", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154606, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU7441(KU-57788)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152226", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152226, "molecule_chembl_id": "CHEMBL1450004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Usniacin (D-Usnic_acid)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152205", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152205, "molecule_chembl_id": "CHEMBL812", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.12", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002564227"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149676", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAZOLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149676, "molecule_chembl_id": "CHEMBL1200523", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.50", "alogp": "-0.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAZOLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAVABOROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149171, "molecule_chembl_id": "CHEMBL443052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.93", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Tavaborole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB1OCc2cc(F)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147725", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147725, "molecule_chembl_id": "CHEMBL452887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.19", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-EBIO"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)[nH]c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149076", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT-639", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149076, "molecule_chembl_id": "CHEMBL3590674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.91", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABT-639"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149651", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPICASTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149651, "molecule_chembl_id": "CHEMBL536282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.82", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nepicastat (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1cnc(S)n1[C@H]1CCc2c(F)cc(F)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154239", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154239, "molecule_chembl_id": "CHEMBL1671971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.37", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E3 ligase Ligand 5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152183", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFAZODONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152183, "molecule_chembl_id": "CHEMBL1200492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.48", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFAZODONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150092", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150092, "molecule_chembl_id": "CHEMBL277150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.21", "alogp": "-1.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "polyinosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149818", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149818, "molecule_chembl_id": "CHEMBL498270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154152", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154152, "molecule_chembl_id": "CHEMBL4515390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.42", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CRT 0066101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149667", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149667, "molecule_chembl_id": "CHEMBL2361572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.94", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tianeptine (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(NCCCCCCC(=O)[O-])c2ccc(Cl)cc2S1(=O)=O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150225", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150225, "molecule_chembl_id": "CHEMBL543741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMY-7378"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154326", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.74", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154326, "molecule_chembl_id": "CHEMBL1336727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thiothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153248", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153248, "molecule_chembl_id": "CHEMBL1389045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.20", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-351603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148405", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148405, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Mozavaptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152508", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERACETAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152508, "molecule_chembl_id": "CHEMBL1584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.58", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piperacetazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148500", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-METHYLXANTHINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148500, "molecule_chembl_id": "CHEMBL321248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.14", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "7-methylxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2nc(O)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154041", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154041, "molecule_chembl_id": "CHEMBL2021721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "756.97", "alogp": "6.34", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SSR240612"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@@H](C)CCC[C@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153847", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153847, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147905", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MILACEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147905, "molecule_chembl_id": "CHEMBL75838", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.22", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "milacemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153871", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENDOXIFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153871, "molecule_chembl_id": "CHEMBL1093458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.50", "alogp": "5.36", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Endoxifen HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153337", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERIMEPODIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153337, "molecule_chembl_id": "CHEMBL304087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.47", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Merimepodib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149415", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149415, "molecule_chembl_id": "CHEMBL1331443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3;4-DCPG-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148573", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148573, "molecule_chembl_id": "CHEMBL3609407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.37", "alogp": "6.53", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK805"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148593", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148593, "molecule_chembl_id": "CHEMBL92816", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.36", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(-c2nc3ccccc3s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153099", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAVOSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153099, "molecule_chembl_id": "CHEMBL1976040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.61", "alogp": "2.89", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "MK-1775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152433", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALDOXORUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152433, "molecule_chembl_id": "CHEMBL2107818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "750.76", "alogp": "0.39", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Aldoxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150770", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150770, "molecule_chembl_id": "CHEMBL574783", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.37", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119759"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150774", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSULPIRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150774, "molecule_chembl_id": "CHEMBL267044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "levosulpiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152962", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPAZINE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152962, "molecule_chembl_id": "CHEMBL1712842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.52", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEPAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146415", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146415, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955599", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENILURACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955599, "molecule_chembl_id": "CHEMBL355200", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Eniluracil\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cnc(O)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959051", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENPROPERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959051, "molecule_chembl_id": "CHEMBL2105910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.45", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benproperine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1Cc1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959057", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYAMEMAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959057, "molecule_chembl_id": "CHEMBL2104153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.47", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyamemazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963814", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963814, "molecule_chembl_id": "CHEMBL1356971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.68", "alogp": "-1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2'-Deoxycytidine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959070", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXYLAMINE SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959070, "molecule_chembl_id": "CHEMBL1200392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.46", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOXYLAMINE SUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.832", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959078", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959078, "molecule_chembl_id": "CHEMBL1345380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.40", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROGLUMIDE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959379", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SECNIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959379, "molecule_chembl_id": "CHEMBL498847", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SECNIDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.171", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959080", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HAEMAPORPHYRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959080, "molecule_chembl_id": "CHEMBL317840", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "598.70", "alogp": "6.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "hematoporphyrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.487", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963986", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963986, "molecule_chembl_id": "CHEMBL4303287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "566.07", "alogp": "6.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THZ2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5506", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959716", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959716, "molecule_chembl_id": "CHEMBL4060033", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.27", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHP099 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.407", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957515", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARECOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957515, "molecule_chembl_id": "CHEMBL7303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARECOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959720", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFAMETHOXYPYRIDAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959720, "molecule_chembl_id": "CHEMBL268869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHOXYPYRIDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964329", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964329, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959864", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959864, "molecule_chembl_id": "CHEMBL3407862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "524.62", "alogp": "6.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-PERK-44"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2cc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960007", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOPURVALANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960007, "molecule_chembl_id": "CHEMBL286721", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.92", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminopurvalanol-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962137", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962137, "molecule_chembl_id": "CHEMBL507327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.73", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cgs-9896"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2c[nH]c3ccccc3c-2nn1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960610", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960610, "molecule_chembl_id": "CHEMBL1823147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BNC105"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)c2c(C)oc3c(O)c(OC)ccc23)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958656", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958656, "molecule_chembl_id": "CHEMBL75474", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.56", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Galeterone (TOK-001)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.097", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1cnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955557", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955557, "molecule_chembl_id": "CHEMBL1234268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964506", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964506, "molecule_chembl_id": "CHEMBL243652", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "353.20", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD096194"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959914", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959914, "molecule_chembl_id": "CHEMBL99344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.43", "alogp": "6.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PACOCF3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148732", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FILGOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148732, "molecule_chembl_id": "CHEMBL3301607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Filgotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOCARBOXAZID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148019, "molecule_chembl_id": "CHEMBL1201168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.25", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "isocarboxazid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)NNCc2ccccc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147904", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALRESTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147904, "molecule_chembl_id": "CHEMBL63055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALRESTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147906", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147906, "molecule_chembl_id": "CHEMBL295069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "743.41", "alogp": "-3.53", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADP+"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152412", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152412, "molecule_chembl_id": "CHEMBL2030402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.72", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL413"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148671", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148671, "molecule_chembl_id": "CHEMBL4303487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KS-176"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1C(=O)Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153717", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRENOLANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153717, "molecule_chembl_id": "CHEMBL2105728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CRENOLANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148827", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XYLAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148827, "molecule_chembl_id": "CHEMBL297362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.34", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XYLAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC1=NCCCS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147641", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXATEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147641, "molecule_chembl_id": "CHEMBL2105475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.13", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "broxaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Br)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148010", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARVACROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148010, "molecule_chembl_id": "CHEMBL281202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antioxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMITAPIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154184, "molecule_chembl_id": "CHEMBL354541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "693.73", "alogp": "8.38", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LOMITAPIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147648", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XENALIPIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147648, "molecule_chembl_id": "CHEMBL2104509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.22", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "xenalipin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148683, "molecule_chembl_id": "CHEMBL513181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.23", "alogp": "-1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-9187"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153949", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153949, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "THIMEROSAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149455", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY404039", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149455, "molecule_chembl_id": "CHEMBL375611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.22", "alogp": "-2.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY404039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961325", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961325, "molecule_chembl_id": "CHEMBL4303385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-542573X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1NC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UMBELLIFERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956454, "molecule_chembl_id": "CHEMBL51628", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "162.14", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UMBELLIFERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccc(O)cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961074", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961074, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "levothyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961004", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIACINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961004, "molecule_chembl_id": "CHEMBL1140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.13", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.902", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146979", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146979, "molecule_chembl_id": "CHEMBL1774055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145557", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MASITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145557, "molecule_chembl_id": "CHEMBL1908391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.66", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Masitinib (AB1010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147345", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEHYDROACETIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147345, "molecule_chembl_id": "CHEMBL284127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.15", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROACETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1C(=O)C=C(C)OC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956510", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956510, "molecule_chembl_id": "CHEMBL1090467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.36", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-966492"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCN4)cc3F)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956319", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956319, "molecule_chembl_id": "CHEMBL1553873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BN82002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961180", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMITRAZ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961180, "molecule_chembl_id": "CHEMBL1365675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMITRAZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955942", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FINGOLIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955942, "molecule_chembl_id": "CHEMBL314854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.48", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fingolimod hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960535", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BESIGOMSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960535, "molecule_chembl_id": "CHEMBL403578", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Schisandrol B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955697", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955697, "molecule_chembl_id": "CHEMBL3182951", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.83", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LORNOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956040", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SILYBIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956040, "molecule_chembl_id": "CHEMBL431701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Silibinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955951", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955951, "molecule_chembl_id": "CHEMBL4529739", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.45", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "trans-9,trans-11-Conjugated linoleic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC/C=C/C=C/CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960544", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MUBRITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960544, "molecule_chembl_id": "CHEMBL1614707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.48", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "mubritinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960863", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADENINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960863, "molecule_chembl_id": "CHEMBL226345", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "135.13", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ADENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2[nH]cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956158", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956158, "molecule_chembl_id": "CHEMBL3827932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK9311"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)c1ccccc1OC)c1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146619", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146619, "molecule_chembl_id": "CHEMBL2440854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.31", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S107"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CCS2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146338", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FTAXILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146338, "molecule_chembl_id": "CHEMBL1308252", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.30", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FTAXILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963330", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NARINGIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963330, "molecule_chembl_id": "CHEMBL451532", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.54", "alogp": "-1.17", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Naringin (Naringoside)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958383", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958383, "molecule_chembl_id": "CHEMBL2172076", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL2172076"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963624, "molecule_chembl_id": "CHEMBL3672841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "605.82", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ011989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.802", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962846", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-42165279", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962846, "molecule_chembl_id": "CHEMBL4297294", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "410.81", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-42165279"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963120", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963120, "molecule_chembl_id": "CHEMBL1437065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.13", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "39.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963127", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICOTINYL TARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963127, "molecule_chembl_id": "CHEMBL1324760", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.21", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NICOTINYL ALCOHOL TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(O)C(O)C(=O)O.OCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958111", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUORESCEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958111, "molecule_chembl_id": "CHEMBL177756", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958747", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958747, "molecule_chembl_id": "CHEMBL4298329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "836.39", "alogp": "-2.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "P1;P4-DI(adenosine-5')tetraphosphate ammonium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958752", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958752, "molecule_chembl_id": "CHEMBL129263", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMY-14802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963357", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963357, "molecule_chembl_id": "CHEMBL272357", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.18", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-mu-8C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6801", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2c(C=O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963051", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963051, "molecule_chembl_id": "CHEMBL523577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.64", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "COR-170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccccc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958854", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958854, "molecule_chembl_id": "CHEMBL1515808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.38", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BE-2254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958455", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEIC ACID ANILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958455, "molecule_chembl_id": "CHEMBL15611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.58", "alogp": "7.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oleyl Anilide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958863", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBENOXOLONE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958863, "molecule_chembl_id": "CHEMBL1697717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "614.73", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CARBENOXOLONE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963064", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963064, "molecule_chembl_id": "CHEMBL1590144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tiracizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958463", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACIFLUORFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958463, "molecule_chembl_id": "CHEMBL222440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.66", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACIFLUORFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152235", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENIPOSIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152235, "molecule_chembl_id": "CHEMBL462894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.37", "alogp": "-2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Geniposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147730", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETILISTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147730, "molecule_chembl_id": "CHEMBL2103825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.59", "alogp": "7.36", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Cetilistat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147731", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147731, "molecule_chembl_id": "CHEMBL542207", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.87", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CI-966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)C1=CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151866", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151866, "molecule_chembl_id": "CHEMBL428730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.20", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUF6283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc(C(=O)O)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148816", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148816, "molecule_chembl_id": "CHEMBL247920", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.56", "alogp": "6.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS309403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152244", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152244, "molecule_chembl_id": "CHEMBL4587343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "ATORVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFAZOLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148829, "molecule_chembl_id": "CHEMBL1435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.52", "alogp": "-0.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFAZOLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151873", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KW-2449", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151873, "molecule_chembl_id": "CHEMBL1908397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.41", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "KW 2449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORTETRACYCLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147685, "molecule_chembl_id": "CHEMBL404520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.89", "alogp": "0.44", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CHLORTETRACYCLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147686", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN ETHYL ESTER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147686, "molecule_chembl_id": "CHEMBL1231568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "499.58", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dabigatran (ethyl ester)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152182", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOYOCAMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152182, "molecule_chembl_id": "CHEMBL99668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.27", "alogp": "-1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "toyocamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148821", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHOSPHOENOLPYRUVATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148821, "molecule_chembl_id": "CHEMBL1235228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.04", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHOSPHOENOLPYRUVATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(OP(=O)(O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147368", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERBINAFINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147368, "molecule_chembl_id": "CHEMBL822", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBINAFINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152154", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIRINAPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152154, "molecule_chembl_id": "CHEMBL3039522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "806.96", "alogp": "2.61", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Birinapant\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148658", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148658, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152904", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CICLOPIROX OLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152904, "molecule_chembl_id": "CHEMBL242580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CICLOPIROX OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148001", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROPAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148001, "molecule_chembl_id": "CHEMBL498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.75", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORPROPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148664", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEGACESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148664, "molecule_chembl_id": "CHEMBL463981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.74", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "BEGACESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153332", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-571", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153332, "molecule_chembl_id": "CHEMBL15177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.10", "alogp": "6.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK-571"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146860", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIIB021", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146860, "molecule_chembl_id": "CHEMBL467399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.77", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BIIB021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151063", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SURAMIN HEXASODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151063, "molecule_chembl_id": "CHEMBL413376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1429.19", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "SURAMIN HEXASODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147268", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147268, "molecule_chembl_id": "CHEMBL466517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-26990990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCc1csc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151772", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151772, "molecule_chembl_id": "CHEMBL463165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.37", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Evodiamine (Isoevodiamine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146984", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANCURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146984, "molecule_chembl_id": "CHEMBL1200757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "732.68", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Pancuronium dibromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151778", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUGGULSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151778, "molecule_chembl_id": "CHEMBL410683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUGGULSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146566", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GS-39783", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146566, "molecule_chembl_id": "CHEMBL392394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS-39783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153422", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153422, "molecule_chembl_id": "CHEMBL2315278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.74", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-389851"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153368", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153368, "molecule_chembl_id": "CHEMBL513147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN193189 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153526", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SATRAPLATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153526, "molecule_chembl_id": "CHEMBL3833367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.28", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "image_file": "metalContaining.svg", "compound_key": "Satraplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148935", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148935, "molecule_chembl_id": "CHEMBL397983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.60", "alogp": "5.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG 487"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148605", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148605, "molecule_chembl_id": "CHEMBL1236095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "676.74", "alogp": "5.82", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NMS-P715"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153113", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXYQUINOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153113, "molecule_chembl_id": "CHEMBL223448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Br)cc(Br)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147893", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ITACITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147893, "molecule_chembl_id": "CHEMBL3622820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.52", "alogp": "3.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "itacitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152657", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRAZOPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152657, "molecule_chembl_id": "CHEMBL2063090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.92", "alogp": "3.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Grazoprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148288", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148288, "molecule_chembl_id": "CHEMBL3798846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.60", "alogp": "3.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OICR-9429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150427", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150427, "molecule_chembl_id": "CHEMBL37549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-METHOXY-N-CYCLOPROPANOYLTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150624, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACTARIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146149", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREGABALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146149, "molecule_chembl_id": "CHEMBL1059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREGABALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](CN)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152945", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152945, "molecule_chembl_id": "CHEMBL98172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICX5609061"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152170", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEPIROXOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152170, "molecule_chembl_id": "CHEMBL1985503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.13", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mepiroxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1cccc(CO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VISTUSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152450, "molecule_chembl_id": "CHEMBL2336325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD2014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147794", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THONZYLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147794, "molecule_chembl_id": "CHEMBL1529802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.84", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THONZYLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152299", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACRITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152299, "molecule_chembl_id": "CHEMBL2035187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pacritinib (SB1518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148537", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAZABEMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148537, "molecule_chembl_id": "CHEMBL2105029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.10", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lazabemide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCNC(=O)c1ccc(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148541", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPARACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148541, "molecule_chembl_id": "CHEMBL1200464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.86", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proparacaine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147856", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147856, "molecule_chembl_id": "CHEMBL1200340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.40", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OSELTAMIVIR PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147864", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147864, "molecule_chembl_id": "CHEMBL285802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.87", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "zotepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147865", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147865, "molecule_chembl_id": "CHEMBL2180179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.19", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-BDBD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN=C(c2cccc(Br)c2)c2oc3ccccc3c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148071", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148071, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dapivirine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148076", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148076, "molecule_chembl_id": "CHEMBL3348832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.15", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Shikimic_acid (Shikimate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CC(O)C(O)[C@H](O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153065", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153065, "molecule_chembl_id": "CHEMBL261237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.35", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SL 327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148561", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMONIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148561, "molecule_chembl_id": "CHEMBL58752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pimonidazole hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1nccn1CC(O)CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148411", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIDOXAL PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148411, "molecule_chembl_id": "CHEMBL82202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.14", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pyridoxal phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(COP(=O)(O)O)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153386", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONALESPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153386, "molecule_chembl_id": "CHEMBL1214827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Onalespib (AT13387)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154559", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154559, "molecule_chembl_id": "CHEMBL20066", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ER-50891"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c(-c3ccccc3)cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152410", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152410, "molecule_chembl_id": "CHEMBL425618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.68", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Maraviroc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153623", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTILONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153623, "molecule_chembl_id": "CHEMBL2103773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.58", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Otilonium Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149124", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMAPATRILAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149124, "molecule_chembl_id": "CHEMBL289556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.55", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OMAPATRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149294", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149294, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BRIVUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149133", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149133, "molecule_chembl_id": "CHEMBL497802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.08", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-iodo-6-phenylpyrimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Ic1cc(-c2ccccc2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149136", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149136, "molecule_chembl_id": "CHEMBL1233448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.69", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Boceprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149504", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TUCATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149504, "molecule_chembl_id": "CHEMBL3989868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.53", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tucatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146834", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146834, "molecule_chembl_id": "CHEMBL365617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.82", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-49009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151339", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151339, "molecule_chembl_id": "CHEMBL3039466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "502.58", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMCINONIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151677", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151677, "molecule_chembl_id": "CHEMBL277120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.30", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-naphthylpiperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147392", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147392, "molecule_chembl_id": "CHEMBL1598162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.38", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-333760"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147401", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLSULFONPHTHALEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147401, "molecule_chembl_id": "CHEMBL258921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.38", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOLSULFONPHTHALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYL P-TOLUENESULFONYL-L-ARGININATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151912, "molecule_chembl_id": "CHEMBL44752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.42", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147478", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENILSETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147478, "molecule_chembl_id": "CHEMBL2104853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tenilsetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCNC1c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151589", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETAPAMULIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151589, "molecule_chembl_id": "CHEMBL1658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.78", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Retapamulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151239", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYCEROL MONOLAURATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151239, "molecule_chembl_id": "CHEMBL510533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.40", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glycerol-monolaurate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149313", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENPROFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149313, "molecule_chembl_id": "CHEMBL279898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "-0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Enprofylline\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c(=O)c2[nH]cnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151883", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151883, "molecule_chembl_id": "CHEMBL3763550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.51", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-299717"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147385", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE MONONITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147385, "molecule_chembl_id": "CHEMBL1311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.14", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE MONONITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150040", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARGLUMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150040, "molecule_chembl_id": "CHEMBL1201780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARGLUMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150185", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPYRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150185, "molecule_chembl_id": "CHEMBL700", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.30", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAPYRIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154407", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154407, "molecule_chembl_id": "CHEMBL4076247", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "330.39", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-6640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149988", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLBUTANOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149988, "molecule_chembl_id": "CHEMBL1469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Phenylbutyric_acid sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150197", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150197, "molecule_chembl_id": "CHEMBL41040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.62", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-chlorophenylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149992", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LADARIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149992, "molecule_chembl_id": "CHEMBL189475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.35", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ladarixin sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956485", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956485, "molecule_chembl_id": "CHEMBL273019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.27", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BERGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145634", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1,4-BUTANEDIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145634, "molecule_chembl_id": "CHEMBL171623", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "90.12", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1;4-butanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145542", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORITAVANCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145542, "molecule_chembl_id": "CHEMBL1688530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1793.12", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Oritavancin (diphosphate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146671", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146671, "molecule_chembl_id": "CHEMBL3137745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.79", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMODIAQUINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961021", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961021, "molecule_chembl_id": "CHEMBL142009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-OX2-29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.941", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956368", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956368, "molecule_chembl_id": "CHEMBL134915", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.46", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro 61-8048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956261", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956261, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ZANAMIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151763", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORIPENEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151763, "molecule_chembl_id": "CHEMBL491571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.51", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Doripenem (monohydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150577", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150577, "molecule_chembl_id": "CHEMBL1511845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.53", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tridihexethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CC[C@](O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MONENSIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147266, "molecule_chembl_id": "CHEMBL1908308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.86", "alogp": "4.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MONENSIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147417", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147417, "molecule_chembl_id": "CHEMBL1444120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 2 [PMID: 25408830]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958583", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAROLUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958583, "molecule_chembl_id": "CHEMBL4297185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.85", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ODM-201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.453", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962465", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FAGOMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962465, "molecule_chembl_id": "CHEMBL108084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.17", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fagomine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NCC[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962952", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962952, "molecule_chembl_id": "CHEMBL1223381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.29", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0364439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.521", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145964", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TG100-801", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145964, "molecule_chembl_id": "CHEMBL403989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.09", "alogp": "7.09", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "TG 100801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149259", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAROTRECTINIB SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149259, "molecule_chembl_id": "CHEMBL3989939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "526.52", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Larotrectinib sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153565", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMTERENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153565, "molecule_chembl_id": "CHEMBL585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.27", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIAMTERENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958762", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958762, "molecule_chembl_id": "CHEMBL4303621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "899.13", "alogp": "5.91", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DORAMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958176", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958176, "molecule_chembl_id": "CHEMBL1397952", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.49", "alogp": "5.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "HQ-415"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958909", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BICALUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958909, "molecule_chembl_id": "CHEMBL409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.38", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bicalutamide (Casodex)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958559", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958559, "molecule_chembl_id": "CHEMBL4303584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.87", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN 1747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958213", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958213, "molecule_chembl_id": "CHEMBL255822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.33", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119657"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C2\\SC(=S)NC2=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958403", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PINACIDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958403, "molecule_chembl_id": "CHEMBL1159", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PINACIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N/C(=N\\C#N)Nc1ccncc1)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963633", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963633, "molecule_chembl_id": "CHEMBL4075936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FPS-ZM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960115", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAFFEIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960115, "molecule_chembl_id": "CHEMBL145", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Caffeic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-26.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964042", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZACYCLONOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964042, "molecule_chembl_id": "CHEMBL127508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.37", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azacyclonol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2204", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960838", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAPROTILINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960838, "molecule_chembl_id": "CHEMBL1237135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MAPROTILINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957988", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957988, "molecule_chembl_id": "CHEMBL3342401", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.34", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD121254"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957990, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-NNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957726", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPEBRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957726, "molecule_chembl_id": "CHEMBL3301625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AVL-292"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145811", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145811, "molecule_chembl_id": "CHEMBL252387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.47", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-030"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146630", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOSALAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146630, "molecule_chembl_id": "CHEMBL2104260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.24", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOSALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963327", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963327, "molecule_chembl_id": "CHEMBL1779732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.28", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CYM-50358"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CN)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958729", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958729, "molecule_chembl_id": "CHEMBL449575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.85", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5'-Chloro-5'-deoxy-ENBA-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.544", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145937", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLORETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145937, "molecule_chembl_id": "CHEMBL45068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phloretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958738, "molecule_chembl_id": "CHEMBL1318259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.47", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SN-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.727", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CSC(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962985", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04217903", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962985, "molecule_chembl_id": "CHEMBL2001019", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04217903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-57.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150650", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINOMETOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150650, "molecule_chembl_id": "CHEMBL3414626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "3.32", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "EPZ-5676"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145839", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145839, "molecule_chembl_id": "CHEMBL1088844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.45", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DPO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151573", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151573, "molecule_chembl_id": "CHEMBL699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-(?-Hydroxyethyl)theophylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCO)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147438", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEDIZOLID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147438, "molecule_chembl_id": "CHEMBL1257051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.34", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tedizolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147782", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147782, "molecule_chembl_id": "CHEMBL156406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phenylhydantoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151851", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANTHRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151851, "molecule_chembl_id": "CHEMBL53418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DANTHRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147758", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIDINOL METHANESULFONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147758, "molecule_chembl_id": "CHEMBL1528011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.53", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRIDINOL METHANESULFONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152265", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152265, "molecule_chembl_id": "CHEMBL4520487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.45", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMZ30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(=Cc1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153754", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERDAFITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153754, "molecule_chembl_id": "CHEMBL3545376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.56", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Erdafitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149214", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149214, "molecule_chembl_id": "CHEMBL471233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.50", "alogp": "1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR125487 sulfamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152279", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152279, "molecule_chembl_id": "CHEMBL4303155", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06463922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154618", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154618, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150124", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYMECROMONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150124, "molecule_chembl_id": "CHEMBL12208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.17", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "HYMECROMONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150381", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150381, "molecule_chembl_id": "CHEMBL2086586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-568487 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149212", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149212, "molecule_chembl_id": "CHEMBL581893", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.26", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 28 [PMID: 28671460]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C)nc(NC(=N)N)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149220", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149220, "molecule_chembl_id": "CHEMBL1957037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(\u00c2\u00b1)-Equol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2COc3cc(O)ccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149222", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INFIGRATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149222, "molecule_chembl_id": "CHEMBL1852688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.49", "alogp": "5.35", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "INFIGRATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147347", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147347, "molecule_chembl_id": "CHEMBL29411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.22", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thymol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(C)C)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151694", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151694, "molecule_chembl_id": "CHEMBL578741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-90-7501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150368", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOTHIXENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150368, "molecule_chembl_id": "CHEMBL1201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thiothixene\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147016", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147016, "molecule_chembl_id": "CHEMBL3605456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147543", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147543, "molecule_chembl_id": "CHEMBL4303671", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.38", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)nc(N)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148027", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZANAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148027, "molecule_chembl_id": "CHEMBL222813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "-3.58", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ZANAMIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152784", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152784, "molecule_chembl_id": "CHEMBL1299863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.53", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T16A(inh)-A01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152660", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152660, "molecule_chembl_id": "CHEMBL4571053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C(=O)C(=NNc2ccccc2O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152794", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXINIDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152794, "molecule_chembl_id": "CHEMBL1631694", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.32", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "fexinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3,5-DIIODOTHYROPROPIONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148159, "molecule_chembl_id": "CHEMBL2348292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.07", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "diiodothyropropionic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150765", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150765, "molecule_chembl_id": "CHEMBL449317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152674", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LITHOCHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152674, "molecule_chembl_id": "CHEMBL1478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.58", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LITHOCHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152680", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANZISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152680, "molecule_chembl_id": "CHEMBL1950289", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tanzisertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146276", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146276, "molecule_chembl_id": "CHEMBL1972527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CYM-50769"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150778", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150778, "molecule_chembl_id": "CHEMBL1405894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.01", "alogp": "-0.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LINCOMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152439", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRX-08066", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152439, "molecule_chembl_id": "CHEMBL4297322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.97", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PRX-08066 Maleic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154545", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154545, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959594", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959594, "molecule_chembl_id": "CHEMBL1200538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAMETHASONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959386", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABC-294640", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959386, "molecule_chembl_id": "CHEMBL2158685", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABC294640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.727", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963687", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963687, "molecule_chembl_id": "CHEMBL3181805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.16", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-((Z)-3-Chloroallyl)-1;3;5;7-tetraazaadamantan-1-ium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl/C=C\\C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963992", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963992, "molecule_chembl_id": "CHEMBL575239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "142.20", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-acetyl-4-methylpiperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959468", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOTETAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959468, "molecule_chembl_id": "CHEMBL474579", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "575.63", "alogp": "-1.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFOTETAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.298", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964073", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PD-173074", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964073, "molecule_chembl_id": "CHEMBL189584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "523.68", "alogp": "5.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD173074"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964508", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964508, "molecule_chembl_id": "CHEMBL1271764", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "374.65", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119792"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964295", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.36", "bao_label": "assay format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964295, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "exifone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4380.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955838", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SDX-101", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955838, "molecule_chembl_id": "CHEMBL1716091", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(R)-Etodolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955840", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PATUPILONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955840, "molecule_chembl_id": "CHEMBL94657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "507.69", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "(-)-Epothilone B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964187", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELIGLUSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964187, "molecule_chembl_id": "CHEMBL2110588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Eliglustat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960489", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960489, "molecule_chembl_id": "CHEMBL2028393", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.08", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bromebric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C(Br)=C/C(=O)[O-])cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964306", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.68", "bao_label": "assay format", "molecule_pref_name": "PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964306, "molecule_chembl_id": "CHEMBL1449651", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.30", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-dithiocarbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "210.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N.S=C(S)N1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146651", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESMOPRESSIN ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146651, "molecule_chembl_id": "CHEMBL1200556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1129.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Desmopressin (Acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151160", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIVEBRESIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151160, "molecule_chembl_id": "CHEMBL3987016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.47", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "mivebresib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146657", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146657, "molecule_chembl_id": "CHEMBL4303338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.53", "alogp": "5.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LX-1031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2ccc([C@@H](Oc3cc(-c4ccc(C[C@H](N)C(=O)O)cc4)nc(N)n3)C(F)(F)F)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154375", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154375, "molecule_chembl_id": "CHEMBL2333770", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "6.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9900.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956400", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6-BROMOINDIRUBIN-3'-ACETOXIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956400, "molecule_chembl_id": "CHEMBL430226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.22", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIO-acetoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961272", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961272, "molecule_chembl_id": "CHEMBL1326499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-59230A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956637", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956637, "molecule_chembl_id": "CHEMBL3617053", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "449.56", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA 121431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145507", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145507, "molecule_chembl_id": "CHEMBL2037226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.50", "alogp": "7.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-5837"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146431", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146431, "molecule_chembl_id": "CHEMBL1713992", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.43", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirlindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc2c(c1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961041", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961041, "molecule_chembl_id": "CHEMBL1397643", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.99", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRICHLORMETHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.ClCCN(CCCl)CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149956", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARAZOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149956, "molecule_chembl_id": "CHEMBL324665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARAZOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149961", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NRX195183", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149961, "molecule_chembl_id": "CHEMBL107430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.87", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AGN 195183"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151091", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151091, "molecule_chembl_id": "CHEMBL502124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.09", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "aurora-a-inhibitor-i"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154344", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.93", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154344, "molecule_chembl_id": "CHEMBL1254577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0364739"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153827", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORTIOXETINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153827, "molecule_chembl_id": "CHEMBL2104993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.46", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vortioxetine hydrobromide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153385", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153385, "molecule_chembl_id": "CHEMBL3186743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.42", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OSI-420 (Desmethyl Erlotinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154652", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154652, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN A9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.53", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148785", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXIGLUMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148785, "molecule_chembl_id": "CHEMBL206025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Loxiglumide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145520", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145520, "molecule_chembl_id": "CHEMBL178334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.61", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151151", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151151, "molecule_chembl_id": "CHEMBL3414619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC1999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147203", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NICOTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147203, "molecule_chembl_id": "CHEMBL3", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nicotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@H]1c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153273", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153273, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG 900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147278", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAGABINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147278, "molecule_chembl_id": "CHEMBL1695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.02", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tiagabine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149804", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLOXATONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149804, "molecule_chembl_id": "CHEMBL18116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "toloxatone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153842", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THALICARPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153842, "molecule_chembl_id": "CHEMBL507100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "696.84", "alogp": "7.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "thaliblastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149266", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149266, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Palmidrol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153578", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153578, "molecule_chembl_id": "CHEMBL2064666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.08", "alogp": "3.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-28122"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153852", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYAMEMAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153852, "molecule_chembl_id": "CHEMBL2104153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.47", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyamemazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148896", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148896, "molecule_chembl_id": "CHEMBL1088762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.53", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961542", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TECALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961542, "molecule_chembl_id": "CHEMBL2107572", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tecalcet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148941", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STILONIUM IODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148941, "molecule_chembl_id": "CHEMBL1257065", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.39", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MG-624"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153446", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVANS BLUE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153446, "molecule_chembl_id": "CHEMBL1200712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "960.82", "alogp": "6.67", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "EVANS BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153539", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APHIDICOLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153539, "molecule_chembl_id": "CHEMBL29711", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.49", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Aphidicolin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153138", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOCETINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153138, "molecule_chembl_id": "CHEMBL272980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mocetinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148617", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148617, "molecule_chembl_id": "CHEMBL3342553", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.53", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 3000328"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)O[C@H]1COc2ccc(N3CCN(C4COC4)CC3)cc2[C@@H]1NC(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152783", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152783, "molecule_chembl_id": "CHEMBL4547032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "QUETIAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153913", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOSSYPOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153913, "molecule_chembl_id": "CHEMBL51483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.56", "alogp": "6.38", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Gossypol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149435", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149435, "molecule_chembl_id": "CHEMBL465952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.16", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alda-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147834", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147834, "molecule_chembl_id": "CHEMBL312403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.72", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "saclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CS(=O)(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961368", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFAPROXIRAL SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961368, "molecule_chembl_id": "CHEMBL2107744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Efaproxiral sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.243", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149364", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149364, "molecule_chembl_id": "CHEMBL4303245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Ticagrelor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAUWOLSCINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148614, "molecule_chembl_id": "CHEMBL10347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.45", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RAUWOLSCINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146935", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146935, "molecule_chembl_id": "CHEMBL1892416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.28", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EBPC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152153", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICUCULLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152153, "molecule_chembl_id": "CHEMBL417990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.36", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Bicuculline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147899", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147899, "molecule_chembl_id": "CHEMBL2270078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dehydrocorydaline (chloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152234", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZACITIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152234, "molecule_chembl_id": "CHEMBL1489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZACITIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154645", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154645, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TILORONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150149", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150149, "molecule_chembl_id": "CHEMBL3334621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.53", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETP-46464"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151328", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151328, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyproterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALIBEGRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146450, "molecule_chembl_id": "CHEMBL1354284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.83", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-2079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)Cc1ccc(OCCNC[C@H](O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146709", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146709, "molecule_chembl_id": "CHEMBL4303299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DESOXYMETASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151233", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151233, "molecule_chembl_id": "CHEMBL301922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "prolylleucylglycinamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146732", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCIMER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146732, "molecule_chembl_id": "CHEMBL1201073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "-0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dimercaptosuccinic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](S)[C@H](S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146759", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYL VANILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146759, "molecule_chembl_id": "CHEMBL508676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL VANILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151817", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1480", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151817, "molecule_chembl_id": "CHEMBL1231124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.77", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD-1480"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150548", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150548, "molecule_chembl_id": "CHEMBL12152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.49", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-72832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147561", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPODATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147561, "molecule_chembl_id": "CHEMBL1201033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "619.94", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "iopodic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152062", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152062, "molecule_chembl_id": "CHEMBL536151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.68", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-2-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147503", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147503, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147547", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRACENE-9-CARBOXYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147547, "molecule_chembl_id": "CHEMBL1513985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.24", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "9-anthracenecarboxylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c2ccccc2cc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147513", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DROSPIRENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147513, "molecule_chembl_id": "CHEMBL1509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DROSPIRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149973", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFINPYRAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149973, "molecule_chembl_id": "CHEMBL832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002554932"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149607", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALANTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149607, "molecule_chembl_id": "CHEMBL659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GALANTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152363", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESO-HEXESTROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152363, "molecule_chembl_id": "CHEMBL9225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154637", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154637, "molecule_chembl_id": "CHEMBL149201", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-16f"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154643", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154643, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.12", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154573", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154573, "molecule_chembl_id": "CHEMBL1565817", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "531.60", "alogp": "2.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Harringtonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154574", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HOMIDIUM", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154574, "molecule_chembl_id": "CHEMBL48166", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147323", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALPEPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147323, "molecule_chembl_id": "CHEMBL92708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "calpeptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147140", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147140, "molecule_chembl_id": "CHEMBL63829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.52", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "medica-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150954", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150954, "molecule_chembl_id": "CHEMBL299784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.66", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120339"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2S(=O)(=O)N1CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151639", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151639, "molecule_chembl_id": "CHEMBL2141887", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.30", "alogp": "5.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LIMKi-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961396", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961396, "molecule_chembl_id": "CHEMBL509860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.36", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2183240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956621", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MDL-28170", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956621, "molecule_chembl_id": "CHEMBL8486", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Valyl-L-phenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152646", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUPATADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152646, "molecule_chembl_id": "CHEMBL91397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.97", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rupatadine fumarate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148034", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148034, "molecule_chembl_id": "CHEMBL426161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.95", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZM475271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148524", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLYL ISOTHIOCYANATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148524, "molecule_chembl_id": "CHEMBL233248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "99.16", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALLYL ISOTHIOCYANATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN=C=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148651", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148651, "molecule_chembl_id": "CHEMBL397570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-347804"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153698", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMVASTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153698, "molecule_chembl_id": "CHEMBL1064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.57", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SIMVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153224", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153224, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956280", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956280, "molecule_chembl_id": "CHEMBL3781751", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961060", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BURAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961060, "molecule_chembl_id": "CHEMBL2103933", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BURAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccc1)OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145591", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145591, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-Benzylguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961349", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961349, "molecule_chembl_id": "CHEMBL1763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.30", "alogp": "0.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002703134"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961359", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FEXINIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961359, "molecule_chembl_id": "CHEMBL1631694", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.32", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "fexinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154013", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEDIRANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154013, "molecule_chembl_id": "CHEMBL491473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "450.51", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "CEDIRANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154014", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154014, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERPHENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153911", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153911, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PONATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153912", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153912, "molecule_chembl_id": "CHEMBL4565475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.66", "alogp": "3.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Proscillaridin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149374", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMTHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149374, "molecule_chembl_id": "CHEMBL293762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "157.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMTHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153639", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153639, "molecule_chembl_id": "CHEMBL3883608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.37", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151331", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151331, "molecule_chembl_id": "CHEMBL1394350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.12", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ITSA1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1Cl)n1nnc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147839", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147839, "molecule_chembl_id": "CHEMBL351231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148356", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXYLRESORCINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148356, "molecule_chembl_id": "CHEMBL443605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.27", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HEXYLRESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148584", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISBUFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148584, "molecule_chembl_id": "CHEMBL1453416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isbufylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151345", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151345, "molecule_chembl_id": "CHEMBL4303651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.43", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "neuropathiazol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153101", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153101, "molecule_chembl_id": "CHEMBL83547", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.37", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD006321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149496", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149496, "molecule_chembl_id": "CHEMBL4303410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Schisandrin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153697", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIS(MALTOLATO)OXOVANADIUM(IV)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153697, "molecule_chembl_id": "CHEMBL286447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.15", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "bis(maltolato)oxovanadium(IV)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148712", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148712, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PLECONARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153860", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153860, "molecule_chembl_id": "CHEMBL4072132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.36", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG3039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152851", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152851, "molecule_chembl_id": "CHEMBL1381392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.50", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WAY-637658"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154054", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154054, "molecule_chembl_id": "CHEMBL4303376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.47", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-268262"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N(C)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149423", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METICRANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149423, "molecule_chembl_id": "CHEMBL1318341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METICRANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148844", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLIMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148844, "molecule_chembl_id": "CHEMBL2105534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.33", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zolimidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152859", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRALIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152859, "molecule_chembl_id": "CHEMBL46469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTHRALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cccc2Cc2cccc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151054", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151054, "molecule_chembl_id": "CHEMBL435582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.46", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-404187"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151056", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151056, "molecule_chembl_id": "CHEMBL4303164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.39", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXA-06"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1CNCc1ccc(-c2ccnc3[nH]ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147878", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIDAMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147878, "molecule_chembl_id": "CHEMBL448416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.28", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lidamidine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN=C(N)NC(=O)Nc1c(C)cccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152586", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152586, "molecule_chembl_id": "CHEMBL494480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADL5859 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153756", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153756, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG 900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148957", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148957, "molecule_chembl_id": "CHEMBL119296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "102.18", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pentane-1,5-Diamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152624", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GIVINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152624, "molecule_chembl_id": "CHEMBL1213492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.50", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ITF2357 (Givinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147985", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147985, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "CANDESARTAN CILEXTIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148543", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCAINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148543, "molecule_chembl_id": "CHEMBL1762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.26", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tocainide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C(C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148546", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINCHOPHEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148546, "molecule_chembl_id": "CHEMBL348000", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHOPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccccc2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147859", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147859, "molecule_chembl_id": "CHEMBL1280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.07", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VERAPAMIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147862", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147862, "molecule_chembl_id": "CHEMBL320193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoquinoline;-6;7-dimethoxy-1-methyl-1;2;3;4-tetrahydro;"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(C)NCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148553", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AUSTROBAILIGNAN 6", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148553, "molecule_chembl_id": "CHEMBL254071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Macelignan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153063", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153063, "molecule_chembl_id": "CHEMBL2356712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.01", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Barnidipine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148558", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MATRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148558, "molecule_chembl_id": "CHEMBL204860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Matrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152298", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152298, "molecule_chembl_id": "CHEMBL64780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.24", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149790", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149790, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Agomelatine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154511", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154511, "molecule_chembl_id": "CHEMBL154745", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-deazaneplanocin A (DZNeP) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150309", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150309, "molecule_chembl_id": "CHEMBL154580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JAK3-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150276", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERESTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150276, "molecule_chembl_id": "CHEMBL3545307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.54", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "MERESTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150074", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LACTITOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150074, "molecule_chembl_id": "CHEMBL1661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.31", "alogp": "-5.76", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "D-LACTITOL MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149019", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149019, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151831", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151831, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LUMIRACOXIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149022", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149022, "molecule_chembl_id": "CHEMBL470334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.41", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VER-155008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146965", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146965, "molecule_chembl_id": "CHEMBL1418045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.21", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0405601"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc2ccccc2c1Br)Nc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151692", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIOTHYRONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151692, "molecule_chembl_id": "CHEMBL1544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "650.98", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIOTHYRONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154304", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.88", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154304, "molecule_chembl_id": "CHEMBL4303620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.55", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrintegrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1310.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCC1CC1)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154569", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154569, "molecule_chembl_id": "CHEMBL3646801", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "428.49", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2194069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154571", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154571, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.19", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147094", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESCITALOPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147094, "molecule_chembl_id": "CHEMBL1508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "citalopram"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147185", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147185, "molecule_chembl_id": "CHEMBL543382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitrocaramiphen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147431", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147431, "molecule_chembl_id": "CHEMBL1527815", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISOPROLOL FUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146892", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146892, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oseltamivir carboxylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146802", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COPANLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146802, "molecule_chembl_id": "CHEMBL3218576", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.53", "alogp": "0.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Copanlisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151309", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151309, "molecule_chembl_id": "CHEMBL685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002548959"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153393", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMOCHLORCYCLIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153393, "molecule_chembl_id": "CHEMBL1515447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV004168"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152592", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUBERMATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152592, "molecule_chembl_id": "CHEMBL2022968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.07", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Dubermatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148901", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148901, "molecule_chembl_id": "CHEMBL451835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.44", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EC-23"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149163", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW501516", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149163, "molecule_chembl_id": "CHEMBL38943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.51", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GW 501516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154546", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CIPARGAMIN", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154546, "molecule_chembl_id": "CHEMBL1082723", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "390.25", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cipargamin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150053", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XANTHONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150053, "molecule_chembl_id": "CHEMBL186784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.21", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xanthone (Genicide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2ccccc2oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150159", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150159, "molecule_chembl_id": "CHEMBL63902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "148.12", "alogp": "-1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-asparagine-n-hydroxy"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)NO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149783", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149783, "molecule_chembl_id": "CHEMBL1231358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "blebbistatin-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147013", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-294002", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147013, "molecule_chembl_id": "CHEMBL98350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY294002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149781", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149781, "molecule_chembl_id": "CHEMBL4303468", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.66", "alogp": "-0.74", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "tigecycline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152077", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152077, "molecule_chembl_id": "CHEMBL1773685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.39", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ezutromid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147475", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147475, "molecule_chembl_id": "CHEMBL468590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.33", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085994"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(C(=O)O)cc1CSCc1cc(C(=O)O)c(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152083", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152083, "molecule_chembl_id": "CHEMBL340785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.28", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152085", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152085, "molecule_chembl_id": "CHEMBL1643976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.96", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ3146"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147580", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147580, "molecule_chembl_id": "CHEMBL4545488", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.69", "alogp": "3.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JQEZ5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151524", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151524, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dofetilide (Tikosyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147037", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147037, "molecule_chembl_id": "CHEMBL273019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.27", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BERGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152107", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152107, "molecule_chembl_id": "CHEMBL1235786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.67", "alogp": "5.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Mps1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147189", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147189, "molecule_chembl_id": "CHEMBL2137199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.48", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SR-2211"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147240", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147240, "molecule_chembl_id": "CHEMBL100259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.20", "alogp": "-2.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151746", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151746, "molecule_chembl_id": "CHEMBL3182327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.44", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)nc2cccc(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147700", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SRT-2104", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147700, "molecule_chembl_id": "CHEMBL4297436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.65", "alogp": "4.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "SRT2104 (GSK2245840)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152216", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152216, "molecule_chembl_id": "CHEMBL4303336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.95", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "tropesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(C(=O)O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150522", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150522, "molecule_chembl_id": "CHEMBL259067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID 7969543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150523", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TECALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150523, "molecule_chembl_id": "CHEMBL2107572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.29", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "tecalcet"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150469", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150469, "molecule_chembl_id": "CHEMBL1261", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "192.12", "alogp": "-1.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "citric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150524", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBENURON METHYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150524, "molecule_chembl_id": "CHEMBL1229780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.40", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIBENURON METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04620110", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150530, "molecule_chembl_id": "CHEMBL1835919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04620110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150693", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREHALOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150693, "molecule_chembl_id": "CHEMBL1236395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Trehalose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147428", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BECLAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147428, "molecule_chembl_id": "CHEMBL64195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.66", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BECLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962984", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962984, "molecule_chembl_id": "CHEMBL3186743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.42", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OSI-420 (Desmethyl Erlotinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963085", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYTOLUIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963085, "molecule_chembl_id": "CHEMBL448399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYTOLUIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.832", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957995", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957995, "molecule_chembl_id": "CHEMBL1456772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.46", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-648907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(C)cc(C2=NN=C(NC(C)(C)C)SC2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963119", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963119, "molecule_chembl_id": "CHEMBL3182790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.95", "alogp": "-1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROCLOSENE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.055", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[n-]c(=O)n(Cl)c(=O)n1Cl.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147121", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147121, "molecule_chembl_id": "CHEMBL1713178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.48", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120955"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145698", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOROLAC TROMETHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145698, "molecule_chembl_id": "CHEMBL1201124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KETOROLAC TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145704", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145704, "molecule_chembl_id": "CHEMBL566099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.35", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-2210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145530", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145530, "molecule_chembl_id": "CHEMBL137648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "3'-fluorobenzylspiperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145885", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFOBATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145885, "molecule_chembl_id": "CHEMBL284768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.65", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mifobate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145888", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREPROSTINIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145888, "molecule_chembl_id": "CHEMBL1237119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "treprostinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145718", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145718, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146016", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICATIBANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146016, "molecule_chembl_id": "CHEMBL2028850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1304.55", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Icatibant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149745", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN ESTOLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149745, "molecule_chembl_id": "CHEMBL2218877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1056.40", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ESTOLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149747", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149747, "molecule_chembl_id": "CHEMBL2012582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "3.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LRRK2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149826", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149826, "molecule_chembl_id": "CHEMBL260829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NEFIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CN1CCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149829", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRESATOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149829, "molecule_chembl_id": "CHEMBL3410450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.07", "alogp": "2.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Presatovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149773", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMOCRIPTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149773, "molecule_chembl_id": "CHEMBL493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "654.61", "alogp": "3.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "bromocriptine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149609", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149609, "molecule_chembl_id": "CHEMBL1514683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.35", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxprenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OC[C@H](O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145877", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145877, "molecule_chembl_id": "CHEMBL561103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.62", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5cccnc5)CC4)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145505", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145505, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150924", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCCINYLACETONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150924, "molecule_chembl_id": "CHEMBL222824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.15", "alogp": "0.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUCCINYLACETONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961429", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961429, "molecule_chembl_id": "CHEMBL365617", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "387.82", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VER-49009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145527", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145527, "molecule_chembl_id": "CHEMBL3341789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-214117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961614", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLOPROPIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961614, "molecule_chembl_id": "CHEMBL1605835", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.18", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLOPROPIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.094", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147255", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADATANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147255, "molecule_chembl_id": "CHEMBL2111138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adatanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151387", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOLEVULINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151387, "molecule_chembl_id": "CHEMBL601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002589919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150977", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBACHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150977, "molecule_chembl_id": "CHEMBL965", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.20", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBACHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145787", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145787, "molecule_chembl_id": "CHEMBL410456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-4476"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151168", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151168, "molecule_chembl_id": "CHEMBL1711959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.31", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-54494A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146667", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146667, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP-121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151171, "molecule_chembl_id": "CHEMBL4303530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.36", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNBS5162"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146670", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-IMINOBIOTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146670, "molecule_chembl_id": "CHEMBL1233598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.33", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-Iminobiotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151174", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENISTEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151174, "molecule_chembl_id": "CHEMBL44", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145694", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145694, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-Benzylguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145700", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145700, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146680", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATAZANAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146680, "molecule_chembl_id": "CHEMBL1163", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "704.87", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ATAZANAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXETHAZAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146683, "molecule_chembl_id": "CHEMBL127592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.65", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OXETHAZAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154458", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154458, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib (HM781-36B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11530.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149970", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPINASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149970, "molecule_chembl_id": "CHEMBL1106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Epinastine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1=NCC2c3ccccc3Cc3ccccc3N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956198", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956198, "molecule_chembl_id": "CHEMBL407734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.31", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Acetylphenothiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956316", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956316, "molecule_chembl_id": "CHEMBL25101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.54", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naspm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956562", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ABIVERTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956562, "molecule_chembl_id": "CHEMBL4297865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.54", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Avitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961416", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOMPERIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961416, "molecule_chembl_id": "CHEMBL219916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOMPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145828", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145828, "molecule_chembl_id": "CHEMBL83521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.64", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLAZURIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149007", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149007, "molecule_chembl_id": "CHEMBL1509639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.23", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Methoxybenzimidazole-2-thiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(S)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149843", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149843, "molecule_chembl_id": "CHEMBL3605057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.61", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRT67307"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150957", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150957, "molecule_chembl_id": "CHEMBL1521142", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.49", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-349422"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146454", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALBAVANCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146454, "molecule_chembl_id": "CHEMBL3301669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1816.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Dalbavancin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151213", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151213, "molecule_chembl_id": "CHEMBL20489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.14", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guanidinopropionic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151292", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151292, "molecule_chembl_id": "CHEMBL3661385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.77", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-345995"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(Cl)cc1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146733", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHAPYRILENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146733, "molecule_chembl_id": "CHEMBL1255739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.86", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHAPYRILENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1cccs1)c1ccccn1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147220", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETROPIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147220, "molecule_chembl_id": "CHEMBL2110773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cimetropium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147125", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147125, "molecule_chembl_id": "CHEMBL4303337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.45", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "TBOA-(DL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)[C@@H](OCc1ccccc1)C(=O)O.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151730", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOZAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151730, "molecule_chembl_id": "CHEMBL42", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOZAPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150413", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150413, "molecule_chembl_id": "CHEMBL254381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU 74654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145719", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145719, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOSAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146638", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146638, "molecule_chembl_id": "CHEMBL4303157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Epiandrosterone (3alphaandrosterone)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146641", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIMONIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146641, "molecule_chembl_id": "CHEMBL844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.14", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "brimonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145859", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145859, "molecule_chembl_id": "CHEMBL3913746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VPS34-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145863", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINOLFOSFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145863, "molecule_chembl_id": "CHEMBL2104114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.13", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Creatinol phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOP(=O)(O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146555", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146555, "molecule_chembl_id": "CHEMBL1351018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.20", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-303408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145610", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145610, "molecule_chembl_id": "CHEMBL10835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.03", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV665852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145743", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145743, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150466", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENOLPHTHALEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150466, "molecule_chembl_id": "CHEMBL63857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.33", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENOLPHTHALEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151049", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151049, "molecule_chembl_id": "CHEMBL3264245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRAZIQUANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145967", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145967, "molecule_chembl_id": "CHEMBL277525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150527", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150527, "molecule_chembl_id": "CHEMBL4303665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benfotiamine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(\\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146032", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOPRONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146032, "molecule_chembl_id": "CHEMBL1314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "N-2-Mercaptopropionyl-glycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(S)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145727", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-690330", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145727, "molecule_chembl_id": "CHEMBL34819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.12", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-690330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(Oc1ccc(O)cc1)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150591", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARGYLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150591, "molecule_chembl_id": "CHEMBL673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "159.23", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PARGYLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN(C)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148889", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIBOTENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148889, "molecule_chembl_id": "CHEMBL1628688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.44", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Zibotentan (ZD4054)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145609", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145609, "molecule_chembl_id": "CHEMBL601661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.61", "alogp": "3.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WYE-125132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145612", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-256066", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145612, "molecule_chembl_id": "CHEMBL570015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.60", "alogp": "3.93", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "GSK256066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150684", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARCOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150684, "molecule_chembl_id": "CHEMBL304383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sarcosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150685, "molecule_chembl_id": "CHEMBL301707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.49", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-MPPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150832", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMIDRONATE DISODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150832, "molecule_chembl_id": "CHEMBL676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.03", "alogp": "-1.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Pamidronate Disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145760", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEMUSTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145760, "molecule_chembl_id": "CHEMBL12948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.73", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(NC(=O)N(CCCl)N=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145767", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145767, "molecule_chembl_id": "CHEMBL1962516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "165.16", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrazinoylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146882", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146882, "molecule_chembl_id": "CHEMBL2325198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-2327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150975", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMAQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150975, "molecule_chembl_id": "CHEMBL43128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.34", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMAQUINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152113", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEANOLIC_ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152113, "molecule_chembl_id": "CHEMBL168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "oleanolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147612", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROTHYMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147612, "molecule_chembl_id": "CHEMBL1441646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.67", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorothymol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c(C(C)C)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150738", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150738, "molecule_chembl_id": "CHEMBL4303156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.54", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "WWL-113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(-c2ccc(OC(=O)N(C)Cc3cccc(-c4ccncc4)c3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956567", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORTERONEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956567, "molecule_chembl_id": "CHEMBL1921976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ORTERONEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961444", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APRACLONIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961444, "molecule_chembl_id": "CHEMBL1200379", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.57", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "apraclonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961063", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOMIPHEN BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961063, "molecule_chembl_id": "CHEMBL486696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Domiphen Bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.104", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961064", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELLAGIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961064, "molecule_chembl_id": "CHEMBL6246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.19", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ELLAGIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961450", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961450, "molecule_chembl_id": "CHEMBL41040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "169.62", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-chlorophenylguanidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961645", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961645, "molecule_chembl_id": "CHEMBL1364808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIT tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.366", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.O=C1C(c2ccccn2)=[N+]([O-])c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956493", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956493, "molecule_chembl_id": "CHEMBL573", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956293", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALABOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956293, "molecule_chembl_id": "CHEMBL67279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.07", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "TALABOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961458", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961458, "molecule_chembl_id": "CHEMBL2385597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DMH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961209", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AROFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961209, "molecule_chembl_id": "CHEMBL1598450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.74", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-(4-chlorophenyl)-1-propyl-3;7-dihydro-1H-purine-2;6-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.354", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2nc[nH]c2n(-c2ccc(Cl)cc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150379", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150379, "molecule_chembl_id": "CHEMBL277525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccccc1-n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148762", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148762, "molecule_chembl_id": "CHEMBL268229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-methylhistamine-dihydrobromide-(R)-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)Cc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148880", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148880, "molecule_chembl_id": "CHEMBL3589039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.60", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ020411 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153765", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALMOREXANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153765, "molecule_chembl_id": "CHEMBL455136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.57", "alogp": "5.74", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "almorexant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147990", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOEXIPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147990, "molecule_chembl_id": "CHEMBL1200534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.04", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moexipril Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149342", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-745870", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149342, "molecule_chembl_id": "CHEMBL267014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-745870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153782", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153782, "molecule_chembl_id": "CHEMBL1324873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.98", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDM25N"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153257", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153257, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS 777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153196", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153196, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149975", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOLYLPROPIONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149975, "molecule_chembl_id": "CHEMBL207225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Indolepropionic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154124", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154124, "molecule_chembl_id": "CHEMBL4089730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.53", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154630", "_score": 6.4079394, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154630, "molecule_chembl_id": "CHEMBL3622372", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "443.86", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR405"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150143", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORODESINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150143, "molecule_chembl_id": "CHEMBL550755", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.72", "alogp": "-2.02", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Forodesine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151699", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151699, "molecule_chembl_id": "CHEMBL4570132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Drotaverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2/NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151498", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151498, "molecule_chembl_id": "CHEMBL1437649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.15", "alogp": "-0.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1,2-Dimethyl-2H-pyridine-3,4-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C(=O)C(=O)C=CN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVELESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152184, "molecule_chembl_id": "CHEMBL3617964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "alvelestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152208", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152208, "molecule_chembl_id": "CHEMBL110239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.26", "alogp": "3.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-hydroxy-PIPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152177", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOWH-032", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152177, "molecule_chembl_id": "CHEMBL4297392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.19", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "IOWH 032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152179", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152179, "molecule_chembl_id": "CHEMBL1688861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.57", "alogp": "5.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML-786"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150211", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150211, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "reparixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150083", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150083, "molecule_chembl_id": "CHEMBL1407943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.84", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MMV002015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154133", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154133, "molecule_chembl_id": "CHEMBL180672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.93", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPS-2143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154135", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINGOLIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154135, "molecule_chembl_id": "CHEMBL314854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.48", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FINGOLIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154230", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.78", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154230, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16640.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146083", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZARDAVERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146083, "molecule_chembl_id": "CHEMBL313842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.22", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001247053"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146459", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CERALASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146459, "molecule_chembl_id": "CHEMBL4285417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.52", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD6738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149933", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "5-METHYLFURMETHIODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149933, "molecule_chembl_id": "CHEMBL1316369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-methylfurmethiodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C[N+](C)(C)C)o1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149945", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149945, "molecule_chembl_id": "CHEMBL2057618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK 1903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1n[nH]c2c1C[C@H]1C[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154364", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154364, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "APITOLISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "500.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154448", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154448, "molecule_chembl_id": "CHEMBL3752910", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "503.49", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NVP-BHG712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154449", "_score": 6.4079394, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154449, "molecule_chembl_id": "CHEMBL3781751", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "230.35", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORY-1001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149948", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARTEMETHER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149948, "molecule_chembl_id": "CHEMBL566534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.38", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Artemether\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147151", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147151, "molecule_chembl_id": "CHEMBL1898239", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.47", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-E 5001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(OC)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147421", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147421, "molecule_chembl_id": "CHEMBL129788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.69", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WR99210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151372", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPERIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151372, "molecule_chembl_id": "CHEMBL297302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.45", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151198", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151198, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NVP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151934", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151934, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pleconaril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146467", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146467, "molecule_chembl_id": "CHEMBL1491962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.45", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0240551"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961517", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMBRISENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961517, "molecule_chembl_id": "CHEMBL1111", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ambrisentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.946", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145565", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RU-24969", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145565, "molecule_chembl_id": "CHEMBL18785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 24969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(C3=CCNCC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145567", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GERMANIUM SESQUIOXIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145567, "molecule_chembl_id": "CHEMBL1095301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.36", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "propagermanium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145493", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145493, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152033", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152033, "molecule_chembl_id": "CHEMBL1456772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.46", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-648907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(C)cc(C2=NN=C(NC(C)(C)C)SC2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147350", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147350, "molecule_chembl_id": "CHEMBL1743359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZILEUTON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956232", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956232, "molecule_chembl_id": "CHEMBL1096283", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Walrycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145685", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145685, "molecule_chembl_id": "CHEMBL154745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-deazaneplanocin A (DZNeP) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957903", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRUCALOPRIDE SUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957903, "molecule_chembl_id": "CHEMBL2105748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.97", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRUCALOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962616", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962616, "molecule_chembl_id": "CHEMBL367808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.14", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BIRT-377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958397", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958397, "molecule_chembl_id": "CHEMBL381638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.22", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IBC 293"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nnc2cc(C(=O)O)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958496", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLROSANILINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958496, "molecule_chembl_id": "CHEMBL592105", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.54", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLROSANILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958586", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALMETEROL XINAFOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958586, "molecule_chembl_id": "CHEMBL1082607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.76", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salmeterol (xinafoate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963005", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963005, "molecule_chembl_id": "CHEMBL1527537", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UC-112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.646", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958566", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENDAMUSTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958566, "molecule_chembl_id": "CHEMBL487253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.27", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENDAMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "78.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958346", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958346, "molecule_chembl_id": "CHEMBL1403575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMR000040087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960120", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LUMATEPERONE TOSYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960120, "molecule_chembl_id": "CHEMBL3233142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.71", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lumateperone (Tosylate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.759", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12.Cc1ccc(S(=O)(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957980", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMTHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957980, "molecule_chembl_id": "CHEMBL293762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "157.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMTHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(N)sc1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962588", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALIBEGRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962588, "molecule_chembl_id": "CHEMBL1354284", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.83", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZD-2079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(O)Cc1ccc(OCCNC[C@H](O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963072", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROTIONAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963072, "molecule_chembl_id": "CHEMBL1378024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.28", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "3b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.174", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962620", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMG-232", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962620, "molecule_chembl_id": "CHEMBL3125702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "568.56", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "AMG 232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963572", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963572, "molecule_chembl_id": "CHEMBL2151790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.32", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0357121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958048", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958048, "molecule_chembl_id": "CHEMBL16081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "59.07", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LACTULOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963171, "molecule_chembl_id": "CHEMBL296306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "LACTULOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964039", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964039, "molecule_chembl_id": "CHEMBL3039178", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.49", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUININE ETHYL CARBONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958764", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINESTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958764, "molecule_chembl_id": "CHEMBL1201165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "QUINESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960837", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFURESERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960837, "molecule_chembl_id": "CHEMBL2219422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.33", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Afuresertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.222", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956063", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NICLOSAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956063, "molecule_chembl_id": "CHEMBL1448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.12", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Niclosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963333", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDOCYANINE GREEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963333, "molecule_chembl_id": "CHEMBL1615807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "754.01", "alogp": "9.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cardiogreen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2\\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958573", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIPERIDEN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958573, "molecule_chembl_id": "CHEMBL1201035", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.93", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Biperiden (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963186", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963186, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vandetanib (ZD6474)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.133", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959023", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGP-12177", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959023, "molecule_chembl_id": "CHEMBL420746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.34", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-12177"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963576", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADP-597", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963576, "molecule_chembl_id": "CHEMBL1951032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.56", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "APD597"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962480", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLORINDIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962480, "molecule_chembl_id": "CHEMBL278519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.69", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.823", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962650", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962650, "molecule_chembl_id": "CHEMBL4303605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "7.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Solvent Red 24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.943", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958230", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958230, "molecule_chembl_id": "CHEMBL1360103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.69", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-312483"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)CC(Cc2ccc(Cl)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963368", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963368, "molecule_chembl_id": "CHEMBL1677", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TACRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.576", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Nc1c2c(nc3ccccc13)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958232", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958232, "molecule_chembl_id": "CHEMBL4576233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URSOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C2C3=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963225", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYCITEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963225, "molecule_chembl_id": "CHEMBL513024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "glycitein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-35.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147683", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORBINALTORPHIMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147683, "molecule_chembl_id": "CHEMBL573214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "661.80", "alogp": "3.82", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "nor-Binaltorphimine-dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152200", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152200, "molecule_chembl_id": "CHEMBL3410223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.78", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CTEP (RO4956371)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147604", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BLONANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147604, "molecule_chembl_id": "CHEMBL178803", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.51", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Blonanserin (Lonasen)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153184", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAUROCAPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153184, "molecule_chembl_id": "CHEMBL76591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.48", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Laurocapram\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCN1CCCCCC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152171", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTAMIXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152171, "molecule_chembl_id": "CHEMBL46618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Otamixaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147705", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADIPIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147705, "molecule_chembl_id": "CHEMBL1157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adipic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152246", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152246, "molecule_chembl_id": "CHEMBL1394231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.59", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 1a [PMID: 23597791]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2cccs2)c2sccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151874", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAPATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151874, "molecule_chembl_id": "CHEMBL554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.07", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lapatinib ditosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153656", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARAPLADIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153656, "molecule_chembl_id": "CHEMBL204021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "666.79", "alogp": "7.22", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Darapladib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153659", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153659, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hypericin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152272", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152272, "molecule_chembl_id": "CHEMBL473314", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.38", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-331448"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151693", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151693, "molecule_chembl_id": "CHEMBL1412853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147008", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICARIIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147008, "molecule_chembl_id": "CHEMBL553204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "676.67", "alogp": "0.07", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Icariin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145574", "_score": 6.4079394, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENZASTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145574, "molecule_chembl_id": "CHEMBL300138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.62", "alogp": "4.93", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Enzastaurin (LY317615)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957106", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957106, "molecule_chembl_id": "CHEMBL3401461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.65", "alogp": "6.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "compound 2 [PMID: 24793972]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962425", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962425, "molecule_chembl_id": "CHEMBL1696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.85", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESIPRAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCN1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957040", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957040, "molecule_chembl_id": "CHEMBL2436978", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URMC-099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962324", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CIANIDANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962324, "molecule_chembl_id": "CHEMBL311498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIANIDANOL [+-catechin]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962314", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOBENZOATE POTASSIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962314, "molecule_chembl_id": "CHEMBL1564391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "175.23", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "POTASSIUM p-AMINOBENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)[O-])cc1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957911", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957911, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957724", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-690693", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957724, "molecule_chembl_id": "CHEMBL494089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK-690693"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957104", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISINDOLYLMALEIMIDE IX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957104, "molecule_chembl_id": "CHEMBL6291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.56", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISINDOLYLMALEIMIDE IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957728", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOSAPRIDE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957728, "molecule_chembl_id": "CHEMBL1733174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "614.02", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOSAPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957046", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957046, "molecule_chembl_id": "CHEMBL4516422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.86", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JT010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN(C(=O)CCl)c1nc(-c2ccc(OC)cc2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957100", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINDAMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957100, "molecule_chembl_id": "CHEMBL1753", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.99", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLINDAMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957102", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOTUBERCIDIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957102, "molecule_chembl_id": "CHEMBL99203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.15", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Iodotubercidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961705", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961705, "molecule_chembl_id": "CHEMBL1256645", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.25", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-23390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151720", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151720, "molecule_chembl_id": "CHEMBL1098726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.38", "alogp": "4.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-688521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148504", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148504, "molecule_chembl_id": "CHEMBL1334895", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.30", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-10-5824"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147852", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147852, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILOSTAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147853", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147853, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Clofazimina"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152576", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152576, "molecule_chembl_id": "CHEMBL287257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.24", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLOFENSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148073", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARUMONAM SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148073, "molecule_chembl_id": "CHEMBL2104060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.37", "alogp": "-2.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "carumonam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153015", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153015, "molecule_chembl_id": "CHEMBL3991935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P276-00"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152917", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152917, "molecule_chembl_id": "CHEMBL4303458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PluriSIn #1 (NSC 14613)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNc1ccccc1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147879", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NERIDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147879, "molecule_chembl_id": "CHEMBL55214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.15", "alogp": "-0.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Neridronate Sodium Salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152588", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152588, "molecule_chembl_id": "CHEMBL2442052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.51", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M8-B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148416", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148416, "molecule_chembl_id": "CHEMBL1256101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.62", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chlorobenzylidene malononitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC(C#N)=Cc1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152926", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RODUCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152926, "molecule_chembl_id": "CHEMBL2064455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.22", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RX-3117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TBA-354", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148428, "molecule_chembl_id": "CHEMBL1630563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.35", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TBA-354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153705", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153705, "molecule_chembl_id": "CHEMBL2441340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.46", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2656157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147319", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RADAFAXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147319, "molecule_chembl_id": "CHEMBL2107365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Radafaxine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152418", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152418, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZONISAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148012", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148012, "molecule_chembl_id": "CHEMBL363211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.40", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRK-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960263", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960263, "molecule_chembl_id": "CHEMBL100259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.20", "alogp": "-2.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960540", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960540, "molecule_chembl_id": "CHEMBL4303249", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clevudine (Levovir)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.613", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960180", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ASPIRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960180, "molecule_chembl_id": "CHEMBL25", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ASPIRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.548", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148326", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANIDINOETHYLDISULFIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148326, "molecule_chembl_id": "CHEMBL105278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.37", "alogp": "-0.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "guanidinoethyldisulfide-bicarbonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCSSCCNC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149344", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFCILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149344, "molecule_chembl_id": "CHEMBL1200344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.47", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153042", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153042, "molecule_chembl_id": "CHEMBL213100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.68", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WH-4-023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149082", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEOXYMANNOJIRIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149082, "molecule_chembl_id": "CHEMBL84844", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-deoxymannojirimycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149722", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149722, "molecule_chembl_id": "CHEMBL393912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.60", "alogp": "1.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "10-DAB (10-Deacetylbaccatin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDETOMIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149201, "molecule_chembl_id": "CHEMBL77921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dexmedetomidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(C)c2c[nH]cn2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962109", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ARCTIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962109, "molecule_chembl_id": "CHEMBL435734", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "arctigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.974", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962114", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962114, "molecule_chembl_id": "CHEMBL4303627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "proacipimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.039", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1c[n+]([O-])c(C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962115", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962115, "molecule_chembl_id": "CHEMBL3600873", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "5.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-5108 (VX-689)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962120", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMITRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962120, "molecule_chembl_id": "CHEMBL1200964", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMITRIPTYLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962238", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VOXTALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962238, "molecule_chembl_id": "CHEMBL3545366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.30", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Voxtalisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "117.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961729", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEZAFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961729, "molecule_chembl_id": "CHEMBL264374", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.83", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "16c (benzafibrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956952", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OCLACITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956952, "molecule_chembl_id": "CHEMBL2103874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.45", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OCLACITINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956810", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILOSTAZOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956810, "molecule_chembl_id": "CHEMBL799", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.47", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILOSTAZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956811", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TERBINAFINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956811, "molecule_chembl_id": "CHEMBL822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.44", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERBINAFINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962267", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIPELENNAMINE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962267, "molecule_chembl_id": "CHEMBL1200769", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.49", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIPELENNAMINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956813", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALRESTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956813, "molecule_chembl_id": "CHEMBL63055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.23", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALRESTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956819", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956819, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VRC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962278", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENIPOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962278, "molecule_chembl_id": "CHEMBL462894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.37", "alogp": "-2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Geniposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.641", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956821", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIPOIC ACID, ALPHA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956821, "molecule_chembl_id": "CHEMBL33864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.33", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "lipoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148535", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148535, "molecule_chembl_id": "CHEMBL1556584", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.19", "alogp": "-0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Spermine\u00c2\u00b74HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148436", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148436, "molecule_chembl_id": "CHEMBL483348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.25", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DR-2313"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(c(=O)[nH]1)CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153589", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153589, "molecule_chembl_id": "CHEMBL1221601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.85", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGK 733"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149194", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPAGLINIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149194, "molecule_chembl_id": "CHEMBL1272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.60", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "REPAGLINIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153793", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUBOXISTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153793, "molecule_chembl_id": "CHEMBL91829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.56", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LY-333531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICHLORMETHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957428, "molecule_chembl_id": "CHEMBL1054", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLORMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962028", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962028, "molecule_chembl_id": "CHEMBL254778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.33", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-17203212"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957432", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "REPARIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957432, "molecule_chembl_id": "CHEMBL191413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.39", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "reparixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956948", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHIR-99021", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956948, "molecule_chembl_id": "CHEMBL412142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.35", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-99021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956820", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956820, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "1 (aMT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOSETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956842, "molecule_chembl_id": "CHEMBL1110", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.36", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOSETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956975", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NITROXOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956975, "molecule_chembl_id": "CHEMBL1454910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "190.16", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROXOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(O)c2ncccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961686", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FAMCICLOVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961686, "molecule_chembl_id": "CHEMBL880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.34", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FAMCICLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.899", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956870", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956870, "molecule_chembl_id": "CHEMBL1086580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.32", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XAV-939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957411", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERTUGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957411, "molecule_chembl_id": "CHEMBL1770248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.89", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ERTUGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962011", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAURINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962011, "molecule_chembl_id": "CHEMBL239243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.15", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Taurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956890", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLEANOLIC_ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956890, "molecule_chembl_id": "CHEMBL168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "oleanolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957137", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957137, "molecule_chembl_id": "CHEMBL3609326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.40", "alogp": "5.08", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "FRAX486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957414", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GALUNISERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957414, "molecule_chembl_id": "CHEMBL2364611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GALUNISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957108", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CT-7001", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957108, "molecule_chembl_id": "CHEMBL4297488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.52", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ICEC0942"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962323", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962323, "molecule_chembl_id": "CHEMBL4303250", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.57", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTH-01-015"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.048", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Nc2cnn(C3CCNCC3)c2)nc2c1N(C)C(=O)c1cc3ccccc3cc1N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151810", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151810, "molecule_chembl_id": "CHEMBL86962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD086260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154180", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154180, "molecule_chembl_id": "CHEMBL1459140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.32", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nexinhib20"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154216", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.16", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154216, "molecule_chembl_id": "CHEMBL2333770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "6.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BPTU"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150273", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-182874", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150273, "molecule_chembl_id": "CHEMBL267458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.42", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-182874"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148744", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148744, "molecule_chembl_id": "CHEMBL352396", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "604.75", "alogp": "3.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FR-139317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153258", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WAY-100,635", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153258, "molecule_chembl_id": "CHEMBL31354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.57", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-100635"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149308", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIPEROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149308, "molecule_chembl_id": "CHEMBL2059304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxiperomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148670", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELETRIPTAN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148670, "molecule_chembl_id": "CHEMBL1201003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.44", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eletriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152543", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARACATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152543, "molecule_chembl_id": "CHEMBL217092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.04", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Saracatinib (AZD0530)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964358", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964358, "molecule_chembl_id": "CHEMBL510038", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.31", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU3327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956276", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956276, "molecule_chembl_id": "CHEMBL1085637", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.51", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CAY10650"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148231", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1,3-DICYCLOHEXYLUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148231, "molecule_chembl_id": "CHEMBL1458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.35", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N'-Dicyclohexylurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCCCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152054", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152054, "molecule_chembl_id": "CHEMBL1230541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "579.70", "alogp": "5.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CGI1746"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152715", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152715, "molecule_chembl_id": "CHEMBL1412614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.20", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyclocytidine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152711", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152711, "molecule_chembl_id": "CHEMBL1526649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.69", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Droxinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cl)ccc1OCCCC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148209", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYCHLOROQUINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148209, "molecule_chembl_id": "CHEMBL1690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.96", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYCHLOROQUINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148213", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLOSAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148213, "molecule_chembl_id": "CHEMBL849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.55", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147211, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nepafenac\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154195", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154195, "molecule_chembl_id": "CHEMBL1610008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.46", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "4E1RCat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149061", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149061, "molecule_chembl_id": "CHEMBL1434196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1550.19", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Iodixanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153598", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEMIRALISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153598, "molecule_chembl_id": "CHEMBL2216859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "nemiralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153403, "molecule_chembl_id": "CHEMBL468984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.20", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PTC-209"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147326", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERNAKALANT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147326, "molecule_chembl_id": "CHEMBL2107383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.93", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Vernakalant (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152709", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYPROTERONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152709, "molecule_chembl_id": "CHEMBL139835", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.95", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYPROTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148206", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148206, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147289", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXITRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147289, "molecule_chembl_id": "CHEMBL350221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.23", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-hydroxytryptophan (5-HTP)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148214", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTANEDIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148214, "molecule_chembl_id": "CHEMBL365809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "86.09", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTANEDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153177", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "YOHIMBINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153177, "molecule_chembl_id": "CHEMBL537669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.91", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "YOHIMBINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148215", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPACADOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148215, "molecule_chembl_id": "CHEMBL3545369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.24", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Epacadostat (INCB024360)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147540", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147540, "molecule_chembl_id": "CHEMBL4303440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.43", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(4-fluorophenyl)-4-(3;4;5-trimethoxybenzyl)piperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151806", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANABASINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151806, "molecule_chembl_id": "CHEMBL1526229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-ANABASINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc([C@@H]2CCCCN2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153193", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIRINAPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153193, "molecule_chembl_id": "CHEMBL3039522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "806.96", "alogp": "2.61", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Birinapant\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148689", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFEPIME HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148689, "molecule_chembl_id": "CHEMBL1200962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.51", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFEPIME HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957650", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LANABECESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957650, "molecule_chembl_id": "CHEMBL3989948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.54", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Lanabecestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](OC)CC2)C3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957652", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957652, "molecule_chembl_id": "CHEMBL502124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.09", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Aurora A inhibitor I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956917", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956917, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MYRICETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956922", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CRENOLANIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956922, "molecule_chembl_id": "CHEMBL2105728", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CRENOLANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956928, "molecule_chembl_id": "CHEMBL4521451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.28", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "RIVANICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C.CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957450", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPHENHYDRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957450, "molecule_chembl_id": "CHEMBL657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.36", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENHYDRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961706", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "5-METHYLFURMETHIODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961706, "molecule_chembl_id": "CHEMBL1316369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.14", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-methylfurmethiodide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.797", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C[N+](C)(C)C)o1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957060", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957060, "molecule_chembl_id": "CHEMBL4542477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-769662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC1C(=O)Nc2scc(-c3ccc(-c4ccccc4O)cc3)c2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957510", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENELZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957510, "molecule_chembl_id": "CHEMBL1089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENELZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DULOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152842, "molecule_chembl_id": "CHEMBL1200328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.88", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DULOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152839", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MENATETRENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152839, "molecule_chembl_id": "CHEMBL259223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.66", "alogp": "8.92", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "menatetrenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153664", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153664, "molecule_chembl_id": "CHEMBL502124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.09", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Aurora A inhibitor I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148495", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMICINAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148495, "molecule_chembl_id": "CHEMBL489095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.56", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Camicinal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153400", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONESIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153400, "molecule_chembl_id": "CHEMBL1096146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.98", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ponesimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148508", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEBRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148508, "molecule_chembl_id": "CHEMBL2104682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.27", "alogp": "0.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nebracetam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC1CC(=O)N(Cc2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963861", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963861, "molecule_chembl_id": "CHEMBL1504776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.87", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-2011756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964332", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENATOPRAZOLE", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964332, "molecule_chembl_id": "CHEMBL1475252", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.41", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TENATOPRAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152730", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-517", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152730, "molecule_chembl_id": "CHEMBL229430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.41", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AMG 517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148302, "molecule_chembl_id": "CHEMBL4303628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "511.52", "alogp": "5.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "pinaverium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Br)c(C[N+]2(CCOCCC3CC[C@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959736", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUCROSE OCTAACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959736, "molecule_chembl_id": "CHEMBL2105790", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "678.59", "alogp": "-0.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sucrose octaacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.742", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959740", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(PHTHALOCYANINATO)ZINC(II)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959740, "molecule_chembl_id": "CHEMBL2373172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "577.93", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ciaftalan-zinc"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[Zn+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959741", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959741, "molecule_chembl_id": "CHEMBL2012582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "570.70", "alogp": "3.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LRRK2-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964350", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964350, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rosmarinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956932", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHAMIVAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956932, "molecule_chembl_id": "CHEMBL1229908", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMIVAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956871", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LYPRESSIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956871, "molecule_chembl_id": "CHEMBL1200690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1056.24", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "LYPRESSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957482", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOFETILIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957482, "molecule_chembl_id": "CHEMBL473", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.58", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOFETILIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957094", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957094, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULINDAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957447", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957447, "molecule_chembl_id": "CHEMBL1235786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "535.67", "alogp": "5.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MPS1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957946", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOLIPROLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957946, "molecule_chembl_id": "CHEMBL67096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.32", "alogp": "1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLIPROLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(OCC(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962201, "molecule_chembl_id": "CHEMBL258465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.32", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.367", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c3c(c1)c1c(n3CCNC2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962206", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FUREGRELATE SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962206, "molecule_chembl_id": "CHEMBL36028", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.24", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "furegrelate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957202", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILOSTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957202, "molecule_chembl_id": "CHEMBL34431", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CILOSTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961720", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961720, "molecule_chembl_id": "CHEMBL1410015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IU1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957129", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENAPANOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957129, "molecule_chembl_id": "CHEMBL3304485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1145.07", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "TENAPANOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957130", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957130, "molecule_chembl_id": "CHEMBL261237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.35", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SL 327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961731", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DISUFENTON SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961731, "molecule_chembl_id": "CHEMBL1627056", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.34", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NXY-059 (Disufenton sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5381", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961732", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961732, "molecule_chembl_id": "CHEMBL85251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.91", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-67333"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OPROZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957587, "molecule_chembl_id": "CHEMBL2103884", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.62", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OPROZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962186", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMOXICILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962186, "molecule_chembl_id": "CHEMBL1082", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.41", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOXICILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957554", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957554, "molecule_chembl_id": "CHEMBL3823499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK583"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957561", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957561, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957562", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957562, "molecule_chembl_id": "CHEMBL376505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "476.79", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957564", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957564, "molecule_chembl_id": "CHEMBL389348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB290157"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152846", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISAVUCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152846, "molecule_chembl_id": "CHEMBL409153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isavuconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149065", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHSCOPOLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149065, "molecule_chembl_id": "CHEMBL376897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.39", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "N-methyl scopolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148892", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148892, "molecule_chembl_id": "CHEMBL1256179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.82", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALPRENOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148401", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARBACLOFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148401, "molecule_chembl_id": "CHEMBL301742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.66", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(R)-baclofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](CC(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149077", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149077, "molecule_chembl_id": "CHEMBL4460898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIA 10-2474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149276", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149276, "molecule_chembl_id": "CHEMBL98869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.84", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UAMC-00039"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148860", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPACADOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148860, "molecule_chembl_id": "CHEMBL3545369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.24", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Epacadostat (INCB024360)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153781", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153781, "molecule_chembl_id": "CHEMBL191083", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.41", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959256", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENSERAZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959256, "molecule_chembl_id": "CHEMBL1255778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.71", "alogp": "-1.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENSERAZIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957107", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOFACITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957107, "molecule_chembl_id": "CHEMBL221959", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.38", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tofacitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961712", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961712, "molecule_chembl_id": "CHEMBL4303584", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.87", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RN-1747"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957904", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OMIPALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957904, "molecule_chembl_id": "CHEMBL1236962", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.51", "alogp": "4.84", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "OMIPALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956778", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956778, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961972", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961972, "molecule_chembl_id": "CHEMBL4303394", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R)-Oxiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1C[C@H](O)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962223", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962223, "molecule_chembl_id": "CHEMBL3397300", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "529.03", "alogp": "5.40", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AP26113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962103", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962103, "molecule_chembl_id": "CHEMBL3688339", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.43", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OTSSP167 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961984", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFISOXAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961984, "molecule_chembl_id": "CHEMBL453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962422", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962422, "molecule_chembl_id": "CHEMBL2325198", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.39", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC-2327"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956718", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATRASENTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956718, "molecule_chembl_id": "CHEMBL9194", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.63", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ATRASENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956914", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMODIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956914, "molecule_chembl_id": "CHEMBL289277", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMODIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956825", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956825, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORQUINALDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962618", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962618, "molecule_chembl_id": "CHEMBL1774055", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ 960"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958017", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958017, "molecule_chembl_id": "CHEMBL1316881", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.32", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMB-808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962619, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI 2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.438", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958020", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958020, "molecule_chembl_id": "CHEMBL3621955", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958104", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROPOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958104, "molecule_chembl_id": "CHEMBL121188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "122.12", "alogp": "0.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962708", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODIPAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962708, "molecule_chembl_id": "CHEMBL1165268", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1139.76", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "IODIPAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958286", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INAMRINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958286, "molecule_chembl_id": "CHEMBL12856", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "187.20", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amrinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958290", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958290, "molecule_chembl_id": "CHEMBL428730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "168.20", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUF6283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1cc(C(=O)O)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962696", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962696, "molecule_chembl_id": "CHEMBL4303238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "537.54", "alogp": "-1.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "EB-47"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962873", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962873, "molecule_chembl_id": "CHEMBL3697701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-967079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.121", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=N\\O)/C(C)=C/c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958001", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958001, "molecule_chembl_id": "CHEMBL1568820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.28", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC1M0PJ2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1F)Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962608", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHA-793887", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962608, "molecule_chembl_id": "CHEMBL1230607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.49", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PHA-793887"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.881", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961964", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMINDIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961964, "molecule_chembl_id": "CHEMBL288496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "301.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROMINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.658", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957761", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMATROBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957761, "molecule_chembl_id": "CHEMBL361812", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.47", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RAMATROBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962363", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHOTREXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962363, "molecule_chembl_id": "CHEMBL34259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOTREXATE HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962611", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIPRAGLURANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962611, "molecule_chembl_id": "CHEMBL2346738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "265.29", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dipraglurant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957789", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957789, "molecule_chembl_id": "CHEMBL3901808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.41", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MS023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958115", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLENE BLUE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958115, "molecule_chembl_id": "CHEMBL191083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.41", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLENE BLUE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FANAPANEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962719, "molecule_chembl_id": "CHEMBL19892", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.26", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ZK-200775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962631", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORDYCEPIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962631, "molecule_chembl_id": "CHEMBL305686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.25", "alogp": "-0.95", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "cordycepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962638, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "exifone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962654", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALIDROSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962654, "molecule_chembl_id": "CHEMBL465208", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.31", "alogp": "-1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Salidroside (Rhodioloside)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.086", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962656", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOMETREXOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962656, "molecule_chembl_id": "CHEMBL34412", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.46", "alogp": "0.62", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "lometrexol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.109", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957882", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FILGOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957882, "molecule_chembl_id": "CHEMBL3301607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FILGOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958067", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958067, "molecule_chembl_id": "CHEMBL3103988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS 9283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958302, "molecule_chembl_id": "CHEMBL1323615", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.32", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML171 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2Sc2cc(N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958096", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958096, "molecule_chembl_id": "CHEMBL2047851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "178.19", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-04859989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1Cc2ccccc2N(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962700", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962700, "molecule_chembl_id": "CHEMBL122622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.39", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LUF-5834"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.912", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957790", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DYDROGESTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957790, "molecule_chembl_id": "CHEMBL1200853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DYDROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962718", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ITACITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962718, "molecule_chembl_id": "CHEMBL3622820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.52", "alogp": "3.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Itacitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957365", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VACTOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957365, "molecule_chembl_id": "CHEMBL3260567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "399.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EW-7197"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962468", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESATORVID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962468, "molecule_chembl_id": "CHEMBL225157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.82", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Resatorvid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962558", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962558, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ORLISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.452", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957806", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "E-DOXEPIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957806, "molecule_chembl_id": "CHEMBL860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "doxepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2COc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958135", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958135, "molecule_chembl_id": "CHEMBL1565589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.35", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-320049"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958087", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958087, "molecule_chembl_id": "CHEMBL3903744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.50", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD120377"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958089", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958089, "molecule_chembl_id": "CHEMBL4513786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.72", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957053", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MONTELUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957053, "molecule_chembl_id": "CHEMBL787", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "586.20", "alogp": "8.95", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "MONTELUKAST SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961940", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961940, "molecule_chembl_id": "CHEMBL225519", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHA-767491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.517", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NCCc2[nH]c(-c3ccncc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961943", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961943, "molecule_chembl_id": "CHEMBL83899", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.96", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-67506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957408", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957408, "molecule_chembl_id": "CHEMBL1765740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.60", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2334470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961946", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961946, "molecule_chembl_id": "CHEMBL125582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "boronophenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957632", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957632, "molecule_chembl_id": "CHEMBL239226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.53", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRE-269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957221", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUFENAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957221, "molecule_chembl_id": "CHEMBL23588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.23", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUFENAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961833", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENELIGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961833, "molecule_chembl_id": "CHEMBL2147777", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.59", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Teneligliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957814", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PACLITAXEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957814, "molecule_chembl_id": "CHEMBL428647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "853.92", "alogp": "3.74", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PACLITAXEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962503", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICHLOROPHEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962503, "molecule_chembl_id": "CHEMBL33845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICHLOROPHEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957251", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957251, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "124.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957245", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPMATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957245, "molecule_chembl_id": "CHEMBL3188267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.43", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAPMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957638, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOFARABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956711", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956711, "molecule_chembl_id": "CHEMBL1628690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-804598"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961863", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ILOPERIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961863, "molecule_chembl_id": "CHEMBL14376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.49", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Iloperidone (Fanapt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962231", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERGOCALCIFEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962231, "molecule_chembl_id": "CHEMBL1536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.66", "alogp": "7.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ERGOCALCIFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.817", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957928, "molecule_chembl_id": "CHEMBL289356", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.30", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-17107"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Sc1nnc(Nc2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962121", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EMPAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962121, "molecule_chembl_id": "CHEMBL2107830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.92", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Empagliflozin (BI10773)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUXOLITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962132, "molecule_chembl_id": "CHEMBL1789941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ruxolitinib (INCB018424)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958054", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958054, "molecule_chembl_id": "CHEMBL2269234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119579"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962658", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962658, "molecule_chembl_id": "CHEMBL408963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "558.73", "alogp": "4.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TMC353121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958154", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958154, "molecule_chembl_id": "CHEMBL199441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.18", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD005365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2ccccc2OC(F)(F)F)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957961", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957961, "molecule_chembl_id": "CHEMBL1643740", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AN3661"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cccc2c1B(O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962741", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962741, "molecule_chembl_id": "CHEMBL1368146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.09", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962751", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERLOSAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962751, "molecule_chembl_id": "CHEMBL58323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.30", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacosamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962581", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETIFENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962581, "molecule_chembl_id": "CHEMBL1323453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "etifenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957892", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957892, "molecule_chembl_id": "CHEMBL766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CILASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962677", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962677, "molecule_chembl_id": "CHEMBL4303550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.28", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TY-52156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)/C(=N/c1ccc(Cl)cc1)NNc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962678", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOXIFLOXACIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962678, "molecule_chembl_id": "CHEMBL1200735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.90", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOXIFLOXACIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.071", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956701, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI-2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957013", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIGETRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957013, "molecule_chembl_id": "CHEMBL487017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "0.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "APIGETRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957014", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIFONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957014, "molecule_chembl_id": "CHEMBL277535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.40", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BIFONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957021", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957021, "molecule_chembl_id": "CHEMBL2143829", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.35", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-466722"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962576", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOPERAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962576, "molecule_chembl_id": "CHEMBL260374", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.45", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "thioperamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957976", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957976, "molecule_chembl_id": "CHEMBL1313657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.09", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "guanabenz"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NN=Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957890", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957890, "molecule_chembl_id": "CHEMBL2134202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4708671"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cncnc1N1CCN(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958278", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958278, "molecule_chembl_id": "CHEMBL3920301", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.40", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-648764"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962649", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISMUTH SUBGALLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962649, "molecule_chembl_id": "CHEMBL1592101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "bismuth-subgallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.606", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962472", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962472, "molecule_chembl_id": "CHEMBL4078477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "3.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RGFP966"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(F)ccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962739", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APTO-253", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962739, "molecule_chembl_id": "CHEMBL4297261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.39", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "APTO-253"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962740", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-2206", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962740, "molecule_chembl_id": "CHEMBL1079175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2206 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957284", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUOXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957284, "molecule_chembl_id": "CHEMBL41", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUOXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957295", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "T091317", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957295, "molecule_chembl_id": "CHEMBL62136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.34", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T0901317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961896", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961896, "molecule_chembl_id": "CHEMBL3137744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "152.15", "alogp": "-2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ribitol (Adonitol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961899", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961899, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961954", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961954, "molecule_chembl_id": "CHEMBL279841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.44", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MM77"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958298", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958298, "molecule_chembl_id": "CHEMBL1379746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.77", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-272160"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962907", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962907, "molecule_chembl_id": "CHEMBL285480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CH55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.043", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961757", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961757, "molecule_chembl_id": "CHEMBL4303465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.18", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "gallium-triquinolin-8-olate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957162", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957162, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENTACAPONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961766", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STANOZOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961766, "molecule_chembl_id": "CHEMBL2079587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "stanozolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.766", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957173", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957173, "molecule_chembl_id": "CHEMBL66089", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.34", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957179", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-202190", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957179, "molecule_chembl_id": "CHEMBL278041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 202190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961779", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961779, "molecule_chembl_id": "CHEMBL312750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.32", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eupatilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961782", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALNETANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961782, "molecule_chembl_id": "CHEMBL10188", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Talnetant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.124", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962913", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962913, "molecule_chembl_id": "CHEMBL2046669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "267.12", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA-110381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)nc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962914", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIFLUSAL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962914, "molecule_chembl_id": "CHEMBL1332032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triflusal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958315", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENOTHIAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958315, "molecule_chembl_id": "CHEMBL828", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.28", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENOTHIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Nc1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958027", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958027, "molecule_chembl_id": "CHEMBL2315267", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.80", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD061433"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962629", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962629, "molecule_chembl_id": "CHEMBL1615585", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.28", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-Aminocephalosporanic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.916", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962389", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962389, "molecule_chembl_id": "CHEMBL375563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.74", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(20S)-Protopanaxadiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4242", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962594", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962594, "molecule_chembl_id": "CHEMBL268490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-alpha-Methylhistamine-dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957849", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957849, "molecule_chembl_id": "CHEMBL4567342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.56", "alogp": "5.70", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP 231"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962469", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962469, "molecule_chembl_id": "CHEMBL128772", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-carboxy-4-hydroxyphenylglycine-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962475", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962475, "molecule_chembl_id": "CHEMBL33859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.01", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKT-077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)/c(=C2\\Sc3ccccc3N2C)s/c1=C\\c1cccc[n+]1CC.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962704", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962704, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957321", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ILOMASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957321, "molecule_chembl_id": "CHEMBL19611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.47", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GM-6001"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957322", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957322, "molecule_chembl_id": "CHEMBL3182437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.49", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956796", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZIPRASIDONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956796, "molecule_chembl_id": "CHEMBL708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.95", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZIPRASIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961926", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961926, "molecule_chembl_id": "CHEMBL1526434", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-hydroxy-phenazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957332", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERDAFITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957332, "molecule_chembl_id": "CHEMBL3545376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.56", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "erdafitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957337", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TENIPOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957337, "molecule_chembl_id": "CHEMBL452231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "656.66", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "teniposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962525", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIPTORELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962525, "molecule_chembl_id": "CHEMBL1201334", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1311.47", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Triptorelin Acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.618", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962532", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVOMENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962532, "molecule_chembl_id": "CHEMBL1096927", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levomenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957538", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957538, "molecule_chembl_id": "CHEMBL54440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mevastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957539", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERPHENAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957539, "molecule_chembl_id": "CHEMBL567", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.98", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PERPHENAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957259", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SAFINAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957259, "molecule_chembl_id": "CHEMBL396778", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.35", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAFINAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957262, "molecule_chembl_id": "CHEMBL230128", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ECHINOCYSTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957263", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04418948", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957263, "molecule_chembl_id": "CHEMBL3286797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.41", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04418948"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957272", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957272, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMFIBROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957785", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICTILISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957785, "molecule_chembl_id": "CHEMBL521851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.65", "alogp": "2.15", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PICTILISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962887", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LULICONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962887, "molecule_chembl_id": "CHEMBL2105689", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.29", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Luliconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957773", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957773, "molecule_chembl_id": "CHEMBL95606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.22", "alogp": "-2.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cytarabine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958121", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958121, "molecule_chembl_id": "CHEMBL1197556", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.45", "alogp": "5.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "decynium 22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958038", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958038, "molecule_chembl_id": "CHEMBL201039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.42", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-353013"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(N/C(S)=N/CCCn2ccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956684", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BMS-754807", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956684, "molecule_chembl_id": "CHEMBL575448", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "461.51", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BMS-754807"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956685", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOMIFENSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956685, "molecule_chembl_id": "CHEMBL273575", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.33", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NOMIFENSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2c(N)cccc2C(c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NIFLUMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956695, "molecule_chembl_id": "CHEMBL63323", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFLUMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962302, "molecule_chembl_id": "CHEMBL94841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.66", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-(4chlorophenyl)-4-ethyl-2;4-dihydro-3H-1;2;4-triazol-3-one"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(O)nnc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962403, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957803", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAN-190", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957803, "molecule_chembl_id": "CHEMBL8618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.49", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAN-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956801", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956801, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZTREONAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956714", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GABEXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956714, "molecule_chembl_id": "CHEMBL87563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GABEXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957958", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957958, "molecule_chembl_id": "CHEMBL1548353", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "249.27", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-62.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1oc(-c2cccc3ccccc23)nc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962565", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHACRYNIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962565, "molecule_chembl_id": "CHEMBL456", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.14", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHACRYNIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4834", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958143", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958143, "molecule_chembl_id": "CHEMBL15063", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.69", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATRAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNc1nc(Cl)nc(NC(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958144", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958144, "molecule_chembl_id": "CHEMBL1580036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "280.30", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-335083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958062", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958062, "molecule_chembl_id": "CHEMBL2019024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 30 [PMID: 22239545]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2[nH]c(SCc3ccccn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962893", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADIMETHOXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962893, "molecule_chembl_id": "CHEMBL62193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADIMETHOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958293", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958293, "molecule_chembl_id": "CHEMBL36536", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.43", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLAUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962759", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962759, "molecule_chembl_id": "CHEMBL1329032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.26", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spaglumic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.335", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957305", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUIZARTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957305, "molecule_chembl_id": "CHEMBL576982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.68", "alogp": "5.86", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "QUIZARTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961856", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961856, "molecule_chembl_id": "CHEMBL4303161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "SODIUM NITROPRUSSIDE DIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957456", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEOSTIGMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957456, "molecule_chembl_id": "CHEMBL278020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.30", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Neostigmine (methyl sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961925", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AGMATINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961925, "molecule_chembl_id": "CHEMBL1256618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.27", "alogp": "-1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Agmatine sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.806", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCCCN.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955767", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955767, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Psoralen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955700", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955700, "molecule_chembl_id": "CHEMBL4303366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metazosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C(C)OC)CC3)nc(N)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEDROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955701, "molecule_chembl_id": "CHEMBL1974890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Cedrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956245", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TP-3654", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956245, "molecule_chembl_id": "CHEMBL3975308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.46", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TP-3654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956249", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAMIPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956249, "molecule_chembl_id": "CHEMBL4112930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.32", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pamiparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c43", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152533", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152533, "molecule_chembl_id": "CHEMBL28324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "721.86", "alogp": "5.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "KN-62"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148135", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANIRACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148135, "molecule_chembl_id": "CHEMBL36994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aniracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962195", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962195, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962365", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TILARGININE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962365, "molecule_chembl_id": "CHEMBL1256175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.28", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "targinine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957768", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957768, "molecule_chembl_id": "CHEMBL576817", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.23", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP 57380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(Nc1ccc(F)cc1)N=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLAVOXATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961808, "molecule_chembl_id": "CHEMBL1200875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.93", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flavoxate HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962397", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N6-CYCLOPENTYLADENOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962397, "molecule_chembl_id": "CHEMBL68738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.36", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-cyclopentyladenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962644", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962644, "molecule_chembl_id": "CHEMBL4303459", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.34", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SSR128129E (SSR)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.557", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)n2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962387", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFABENZAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962387, "molecule_chembl_id": "CHEMBL1243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "276.32", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFABENZAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962877", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-METHYLHISTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962877, "molecule_chembl_id": "CHEMBL275443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-methylhistamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc[nH]c1CCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957753", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "8-OH-DPAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957753, "molecule_chembl_id": "CHEMBL56", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.38", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8-OH-DPAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C1CCc2cccc(O)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958005", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958005, "molecule_chembl_id": "CHEMBL1471698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.46", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-636045"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cn1sc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962361", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962361, "molecule_chembl_id": "CHEMBL30024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.87", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ICI-192605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC/C=C\\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958012", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958012, "molecule_chembl_id": "CHEMBL1522941", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.26", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-359195"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-52.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(Nc2ccc(F)cc2)cc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962375", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962375, "molecule_chembl_id": "CHEMBL3349607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1047.23", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Pasireotide (ditrifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6492", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961963", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RANIRESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961963, "molecule_chembl_id": "CHEMBL334830", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.19", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ranirestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961774", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOZOPRAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961774, "molecule_chembl_id": "CHEMBL1276663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.54", "alogp": "-2.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefozopran (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957373", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957373, "molecule_chembl_id": "CHEMBL1093266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "591.67", "alogp": "6.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2033"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961791", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PSORALEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961791, "molecule_chembl_id": "CHEMBL164660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "186.17", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Psoralen (Ficusin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2cc3ccoc3cc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958313", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958313, "molecule_chembl_id": "CHEMBL4587343", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "ATORVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961953", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOMETASONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961953, "molecule_chembl_id": "CHEMBL1201404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mometasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962898", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962898, "molecule_chembl_id": "CHEMBL1208118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "444.47", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-06126"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.674", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(S(=O)(=O)O)cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961826", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROMETHAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961826, "molecule_chembl_id": "CHEMBL1200391", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "121.14", "alogp": "-2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tromethamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961994", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961994, "molecule_chembl_id": "CHEMBL1771212", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.51", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SD-2590"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961696", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961696, "molecule_chembl_id": "CHEMBL4303545", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.60", "alogp": "1.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-756050"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.327", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962509", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIPONIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962509, "molecule_chembl_id": "CHEMBL2336071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "516.60", "alogp": "6.77", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "BAF312 (Siponimod)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.722", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961999", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPRAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961999, "molecule_chembl_id": "CHEMBL2018096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ipragliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.969", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961819", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961819, "molecule_chembl_id": "CHEMBL3391735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.54", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEPHENIUM HYDROXYNAPTHOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1ccc2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961825", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BALAPIRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961825, "molecule_chembl_id": "CHEMBL550936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "494.51", "alogp": "1.70", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Balapiravir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957244", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957244, "molecule_chembl_id": "CHEMBL3115312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.65", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-42041935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957832", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACLIDINIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957832, "molecule_chembl_id": "CHEMBL1194325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.66", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACLIDINIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957393", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INDISULAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957393, "molecule_chembl_id": "CHEMBL77517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INDISULAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833140", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833140, "molecule_chembl_id": "CHEMBL2336409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.53", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGI-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832989", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESTOSTERONE UNDECANOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832989, "molecule_chembl_id": "CHEMBL2107067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.96", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TESTOSTERONE (UNDECANOATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833949", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833949, "molecule_chembl_id": "CHEMBL314639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.59", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-201 106 (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833292", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPADENOSON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833292, "molecule_chembl_id": "CHEMBL3235279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.04", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CAPADENOSON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833293", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833293, "molecule_chembl_id": "CHEMBL3237589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.56", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EHOP-016"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828804", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROTRIPTYLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828804, "molecule_chembl_id": "CHEMBL1200332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.85", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Protriptyline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCC1c2ccccc2C=Cc2ccccc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832490", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832490, "molecule_chembl_id": "CHEMBL1552551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.96", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833511, "molecule_chembl_id": "CHEMBL3793901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-51344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829607", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPERIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829607, "molecule_chembl_id": "CHEMBL28218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827799", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOXAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827799, "molecule_chembl_id": "CHEMBL453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.31", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfisoxazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1489", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828084", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYPHENBUTAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828084, "molecule_chembl_id": "CHEMBL1228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxyphenbutazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828193", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828193, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipriflavone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6927", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832896", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOSEDOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832896, "molecule_chembl_id": "CHEMBL2103847", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TOSEDOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZALTOPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833587, "molecule_chembl_id": "CHEMBL1765291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.36", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZALTOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833516", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK2256294", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833516, "molecule_chembl_id": "CHEMBL3818875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GSK2256294A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829643", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829643, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834352", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834352, "molecule_chembl_id": "CHEMBL4303604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.54", "alogp": "4.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIS3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829653", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PLECONARIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829653, "molecule_chembl_id": "CHEMBL29609", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.35", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PLECONARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834356", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834356, "molecule_chembl_id": "CHEMBL221265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "935.01", "alogp": "8.31", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "TPPS4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc(c(-c5ccc(S(=O)(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829658", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIPATRIGINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829658, "molecule_chembl_id": "CHEMBL28854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.69", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIPATRIGINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834359", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KW-2478", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834359, "molecule_chembl_id": "CHEMBL4300557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "574.67", "alogp": "2.27", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "KW-2478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834460", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834460, "molecule_chembl_id": "CHEMBL4303583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FPH1 (BRD-6125)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834465", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834465, "molecule_chembl_id": "CHEMBL4303397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BYK-204165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cccc1/C=C1\\C(=O)NC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834468", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAPENTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834468, "molecule_chembl_id": "CHEMBL1660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "877.04", "alogp": "5.65", "num_ro5_violations": 4, "max_phase": 4, "compound_key": "RIFAPENTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834469", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834469, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829770", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIMELDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829770, "molecule_chembl_id": "CHEMBL2355333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.17", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZIMELIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829773", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829773, "molecule_chembl_id": "CHEMBL37708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.57", "alogp": "6.98", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LE-135"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "105.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2cc3c(cc2N=C(c2ccc(C(=O)O)cc2)c2ccccc21)C(C)(C)CCC3(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834479", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISMUTH SUBGALLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834479, "molecule_chembl_id": "CHEMBL1592101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "BISMUTH-SUBGALLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829789", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUSULFAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829789, "molecule_chembl_id": "CHEMBL820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUSULFAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "49.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832677", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832677, "molecule_chembl_id": "CHEMBL1765740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.60", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2334470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIZOFURONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829421, "molecule_chembl_id": "CHEMBL18098", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.21", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPIZOFURONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829095", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROVAFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829095, "molecule_chembl_id": "CHEMBL1200779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.47", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TROVAFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829179", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARINGENIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829179, "molecule_chembl_id": "CHEMBL9352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.26", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NARINGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828451", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPERAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828451, "molecule_chembl_id": "CHEMBL1707", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.51", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Loperamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09579", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829238", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-191095", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829238, "molecule_chembl_id": "CHEMBL11594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.89", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-191095"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833938", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833938, "molecule_chembl_id": "CHEMBL3039370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "-3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MIGLITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829458", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMONAFIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829458, "molecule_chembl_id": "CHEMBL428676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AMONAFIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829459", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABT-751", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829459, "molecule_chembl_id": "CHEMBL20684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.42", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ABT-751 (E7010)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832863", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RODUCITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832863, "molecule_chembl_id": "CHEMBL2064455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.22", "alogp": "-1.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RX-3117"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829244", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZYDAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829244, "molecule_chembl_id": "CHEMBL1528134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.87", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZYDAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834168", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834168, "molecule_chembl_id": "CHEMBL4303141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "809.57", "alogp": "9.46", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2838232"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2([C@@H](O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833956", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833956, "molecule_chembl_id": "CHEMBL10332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.25", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RX-821002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1(C2=NCCN2)COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828173", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIQUIMOD", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828173, "molecule_chembl_id": "CHEMBL1282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imiquimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832878", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832878, "molecule_chembl_id": "CHEMBL3189135", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.67", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1S,2R-PHENYLPROPANOLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827767", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827767, "molecule_chembl_id": "CHEMBL1572751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.27", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Glafenine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07624", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829833", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RHEIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829833, "molecule_chembl_id": "CHEMBL418068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RHEIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834543", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELDONIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834543, "molecule_chembl_id": "CHEMBL2104708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MELDONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)NCCC(=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834051", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834051, "molecule_chembl_id": "CHEMBL1234616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "665.45", "alogp": "-2.69", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "COENZYME-I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C1=CN([C@@H]2O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829852", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIONINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829852, "molecule_chembl_id": "CHEMBL42336", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-METHIONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828829", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOCARBAMOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828829, "molecule_chembl_id": "CHEMBL1201117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methocarbamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09817", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)COC(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832907", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMORFAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832907, "molecule_chembl_id": "CHEMBL2103954", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.27", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMORFAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c(N2CCOCC2)cnn(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828205", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZATADINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828205, "molecule_chembl_id": "CHEMBL3544908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.55", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Azatadine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828831", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828831, "molecule_chembl_id": "CHEMBL1448010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.83", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mefexamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)COc1ccc(OC)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829185", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METACETAMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829185, "molecule_chembl_id": "CHEMBL9419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.16", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METACETAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829500", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEBUTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829500, "molecule_chembl_id": "CHEMBL1200813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.89", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACEBUTOLOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829506", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLIZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829506, "molecule_chembl_id": "CHEMBL648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.39", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLIZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829791", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIPIFARNIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829791, "molecule_chembl_id": "CHEMBL289228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.41", "alogp": "5.50", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "TIPIFARNIB (ZARNESTRA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829792", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829792, "molecule_chembl_id": "CHEMBL1200728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "95.53", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GUANIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834167", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834167, "molecule_chembl_id": "CHEMBL4303644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.45", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-OXO-DEHYDROEPIANDROSTERONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832582", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBHYDROLIN NAPHTHALENESULFONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832582, "molecule_chembl_id": "CHEMBL1394472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.69", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEBHYDROLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832875", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832875, "molecule_chembl_id": "CHEMBL2087742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.42", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AL-8697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)(C)C)nnc2c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834172", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834172, "molecule_chembl_id": "CHEMBL485012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INDOLE-3-PYRUBATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Cc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827882", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827882, "molecule_chembl_id": "CHEMBL3186668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.62", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Dinoprost trometamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O.COC(N)(CO)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832589", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832589, "molecule_chembl_id": "CHEMBL1628669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.19", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-213613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832590", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZIBOTENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832590, "molecule_chembl_id": "CHEMBL1628688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.44", "alogp": "2.71", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ZIBOTENTAN (ZD4054)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827886", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUETIAPINE FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827886, "molecule_chembl_id": "CHEMBL3188993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "883.11", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Quetiapine hemifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5507", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829406", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAVIRDINE MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829406, "molecule_chembl_id": "CHEMBL929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.68", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DELAVIRDINE (MESYLATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832664", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSEMOZOTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832664, "molecule_chembl_id": "CHEMBL1742408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.38", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OSEMOZOTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828979", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMIRACOXIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828979, "molecule_chembl_id": "CHEMBL404108", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.73", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lumiracoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2836", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833500", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833500, "molecule_chembl_id": "CHEMBL3774655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.59", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-CBP-112"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828708", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTRALINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828708, "molecule_chembl_id": "CHEMBL809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.24", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sertraline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3463", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828950", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLODRONATE DISODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828950, "molecule_chembl_id": "CHEMBL1520188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.86", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Clodronate disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8803", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832468", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832468, "molecule_chembl_id": "CHEMBL1522791", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.20", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCNC(=O)Cn1cnc([N+](=O)[O-])n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829817", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFINPYRAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829817, "molecule_chembl_id": "CHEMBL832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFINPYRAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833375", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833375, "molecule_chembl_id": "CHEMBL3393145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.53", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADIPORON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834535", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834535, "molecule_chembl_id": "CHEMBL4303412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.65", "alogp": "6.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VCH-916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N(c2cc(C3=CCCCC3)sc2C(=O)O)C(=O)[C@H]2CC[C@H](C)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834544", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834544, "molecule_chembl_id": "CHEMBL4303146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XILOBAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)N=C1CCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828204", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOXZOLAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828204, "molecule_chembl_id": "CHEMBL18", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.32", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EZA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.099", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834293", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834293, "molecule_chembl_id": "CHEMBL4303203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.07", "alogp": "1.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EDOXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2nc(C(=O)N[C@H]3C[C@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829484", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829484, "molecule_chembl_id": "CHEMBL73149", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XANOMELINE (OXALATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829497", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829497, "molecule_chembl_id": "CHEMBL130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.13", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMPHENICOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829498", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCAINAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829498, "molecule_chembl_id": "CHEMBL605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.79", "alogp": "1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROCAINAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829507", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829507, "molecule_chembl_id": "CHEMBL650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828454", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828454, "molecule_chembl_id": "CHEMBL532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "733.94", "alogp": "1.79", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0005254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833162", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833162, "molecule_chembl_id": "CHEMBL2381342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX-02189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832858", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832858, "molecule_chembl_id": "CHEMBL3775982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.31", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AY-9944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834161", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPRODUSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834161, "molecule_chembl_id": "CHEMBL3544988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.44", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPRODUSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829329", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELICICLIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829329, "molecule_chembl_id": "CHEMBL14762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.46", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ROSCOVITINE (SELICICLIB, CYC202)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829170", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACLOPRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829170, "molecule_chembl_id": "CHEMBL8809", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.24", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RACLOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829175", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISONIAZID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829175, "molecule_chembl_id": "CHEMBL64", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PASINIAZID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNC(=O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829260", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYMECROMONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829260, "molecule_chembl_id": "CHEMBL12208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.17", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "HYMECHROME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)oc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828160", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPOTECAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828160, "molecule_chembl_id": "CHEMBL84", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.45", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Topotecan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2216", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828387", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMFENAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828387, "molecule_chembl_id": "CHEMBL1077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.17", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromfenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.006958", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829247", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829247, "molecule_chembl_id": "CHEMBL12152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.49", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-72832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834165", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834165, "molecule_chembl_id": "CHEMBL4303423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.55", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "17-PA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832869", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832869, "molecule_chembl_id": "CHEMBL2078948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4,4-PENTAMETHYLENEPIPERIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC2(CC1)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829466", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENICILLIN V POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829466, "molecule_chembl_id": "CHEMBL1200852", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.49", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENICILLIN V POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828589", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINPOCETINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828589, "molecule_chembl_id": "CHEMBL71752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vinpocetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834605", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETROQUINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834605, "molecule_chembl_id": "CHEMBL1329029", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.09", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TETROQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C(O)C(=O)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834607", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834607, "molecule_chembl_id": "CHEMBL4293433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.68", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "K-RAS(G12C) INHIBITOR 12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829906", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILORONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829906, "molecule_chembl_id": "CHEMBL47298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.56", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TILORONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834608", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOPLATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834608, "molecule_chembl_id": "CHEMBL1351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CARBOPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833373", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833373, "molecule_chembl_id": "CHEMBL3392645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.88", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD7545"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834519", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDAPLATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834519, "molecule_chembl_id": "CHEMBL3137685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.18", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "image_file": "metalContaining.svg", "compound_key": "NEDAPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828675", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UFENAMATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828675, "molecule_chembl_id": "CHEMBL2105605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ufenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5793", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833309", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833309, "molecule_chembl_id": "CHEMBL3286929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.77", "alogp": "8.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DELTARASIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834549", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISMUTH SUBSALICYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834549, "molecule_chembl_id": "CHEMBL1120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "BISMUTH SUBSALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828786", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828786, "molecule_chembl_id": "CHEMBL1256878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.22", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzamil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07365", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832474", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832474, "molecule_chembl_id": "CHEMBL1526434", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HYDROXY-PHENAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829609", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYL ALCOHOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829609, "molecule_chembl_id": "CHEMBL280802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "124.14", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SALICYL ALCOHOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828882", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOVOBIOCIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828882, "molecule_chembl_id": "CHEMBL3183453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "634.61", "alogp": "3.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Novobiocin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4473", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828172", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILNIDIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828172, "molecule_chembl_id": "CHEMBL452076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Cilnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827881", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTALBITAL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827881, "molecule_chembl_id": "CHEMBL454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Butalbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832658", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832658, "molecule_chembl_id": "CHEMBL1716983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.19", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENISAMIUM-IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834108", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATROPINE SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834108, "molecule_chembl_id": "CHEMBL2146146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.45", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ATROPINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827781", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRIL MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827781, "molecule_chembl_id": "CHEMBL1200659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enalapril maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03842", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829040", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELLAGIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829040, "molecule_chembl_id": "CHEMBL6246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.19", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ELLAGIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829606", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STANOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829606, "molecule_chembl_id": "CHEMBL27769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DIHYDROTESTOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833750", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETOSTEINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833750, "molecule_chembl_id": "CHEMBL2105044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.38", "alogp": "0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LETOSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CSCCC1NC(C(=O)O)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834049", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORETHINDRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834049, "molecule_chembl_id": "CHEMBL1162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.43", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORETHINDRONE (NORETHISTERONE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827756", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827756, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05118", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833592", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEVIDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833592, "molecule_chembl_id": "CHEMBL1237132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLEVIDIPINE BUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828887", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NYLIDRIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828887, "molecule_chembl_id": "CHEMBL114655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.41", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nylidrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.263", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833598", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOTIQUIMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833598, "molecule_chembl_id": "CHEMBL2107405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.31", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISOTIQUIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1CCCC2C(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833600", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICI-89406", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833600, "molecule_chembl_id": "CHEMBL11268", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.41", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICI-89406"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833601", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833601, "molecule_chembl_id": "CHEMBL3039046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.48", "alogp": "-6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RIBOSTAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828902", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOSAPRIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828902, "molecule_chembl_id": "CHEMBL60889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.90", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Mosapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.668", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829172", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYUREA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829172, "molecule_chembl_id": "CHEMBL467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "76.05", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROXYUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833871", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATB-346", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833871, "molecule_chembl_id": "CHEMBL4211107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.45", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ATB-346"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(C(C)C(=O)Oc3ccc(C(N)=S)cc3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829173", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829173, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PODOFILOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829181", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-TAXIFOLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829181, "molecule_chembl_id": "CHEMBL66", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.25", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAXIFOLIN (DIHYDROQUERCETIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829495", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VENLAFAXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829495, "molecule_chembl_id": "CHEMBL1201066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.87", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VENLAFAXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834198", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834198, "molecule_chembl_id": "CHEMBL4303411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.96", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NAPHTHOQUINE (PHOSPHATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTRENOGEST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834203, "molecule_chembl_id": "CHEMBL1315492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTRENOGEST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834207", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834207, "molecule_chembl_id": "CHEMBL3039381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834209", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834209, "molecule_chembl_id": "CHEMBL4303592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD-7389"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFALONIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834211, "molecule_chembl_id": "CHEMBL2105567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.52", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFALONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828866", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOXACIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828866, "molecule_chembl_id": "CHEMBL1208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.22", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cinoxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01038", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833709", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833709, "molecule_chembl_id": "CHEMBL4303442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "873.09", "alogp": "5.38", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ABAMECTIN (AVERMECTIN B1A SHOWN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "108.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](OC3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833544", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833544, "molecule_chembl_id": "CHEMBL3985592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "5.18", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CNX-2006"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(NC4CN(CCF)C4)cc3OC)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834217", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIS(MALTOLATO)OXOVANADIUM(IV)", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834217, "molecule_chembl_id": "CHEMBL286447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.15", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "BIS(MALTOLATO)OXOVANADIUM(IV)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829522", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829522, "molecule_chembl_id": "CHEMBL672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.84", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOFIBRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834227", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834227, "molecule_chembl_id": "CHEMBL4210419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.48", "alogp": "5.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LB42708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828972", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828972, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Brivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2534", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833483", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERINURAD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833483, "molecule_chembl_id": "CHEMBL3707347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.43", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VERINURAD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834036, "molecule_chembl_id": "CHEMBL4303616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.75", "alogp": "5.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCG-1423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829169", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSULPIRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829169, "molecule_chembl_id": "CHEMBL267044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.43", "alogp": "0.56", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LEVOSULPIRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827997", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NISOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827997, "molecule_chembl_id": "CHEMBL1256695", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.82", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nisoxetine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1634", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccccc1OC)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827998", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827998, "molecule_chembl_id": "CHEMBL1256680", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.35", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+) Isoproterenol-(+)-bitartrate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833085", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833085, "molecule_chembl_id": "CHEMBL2178284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.27", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MUT056399"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(O)c(Oc2ccc(C(N)=O)cc2F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828292", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEFLUNOMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828292, "molecule_chembl_id": "CHEMBL960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.21", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Leflunomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834124", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834124, "molecule_chembl_id": "CHEMBL4303224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.76", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(2-CHLORO-5-METHYLPHENOXY)-3-(ISOPROPYLAMINO)-2-PROPANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cl)c(OCC(O)CNC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829532", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829532, "molecule_chembl_id": "CHEMBL3137745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.79", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMODIAQUINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833498", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833498, "molecule_chembl_id": "CHEMBL3770459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.57", "alogp": "5.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ITI214"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827796", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827796, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lopinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829358", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GRISEOFULVIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829358, "molecule_chembl_id": "CHEMBL562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.77", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GRISEOFULVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828194", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIZATRIPTAN BENZOATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828194, "molecule_chembl_id": "CHEMBL1201032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.48", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rizatriptan benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7991", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832897", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMUVATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832897, "molecule_chembl_id": "CHEMBL2103851", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AMUVATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "89.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828195", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828195, "molecule_chembl_id": "CHEMBL1200408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pantoprazole sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828203", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828203, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Actarit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9755", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828828", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFYLLINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828828, "molecule_chembl_id": "CHEMBL699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.22", "alogp": "-1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2191", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CCO)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832459", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832459, "molecule_chembl_id": "CHEMBL1514683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.35", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXPRENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OC[C@H](O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828867", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828867, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PODOFILOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04208", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833638, "molecule_chembl_id": "CHEMBL4303503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "1.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORIDONIN (ISODONOL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833445", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833445, "molecule_chembl_id": "CHEMBL3589039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.60", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ020411 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833616", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RO-201724", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833616, "molecule_chembl_id": "CHEMBL18701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-20-1724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(CC2CNC(=O)N2)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833580", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOXELOTOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833580, "molecule_chembl_id": "CHEMBL4101807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VOXELOTOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828421", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMETHASONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828421, "molecule_chembl_id": "CHEMBL1201392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flumethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1234", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828860", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828860, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cepharanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833568", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833568, "molecule_chembl_id": "CHEMBL4070705", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-3-AMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2ccn(-c3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828427", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULINDAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828427, "molecule_chembl_id": "CHEMBL15770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.42", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulindac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5382", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPIVASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833132, "molecule_chembl_id": "CHEMBL2325741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.92", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZD5363"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828961", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUTEOLIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828961, "molecule_chembl_id": "CHEMBL151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SID46500347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1862", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828431", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIAZOXIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828431, "molecule_chembl_id": "CHEMBL181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.68", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diazoxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NS(=O)(=O)c2cc(Cl)ccc2N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834128", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMAVELOXOLONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834128, "molecule_chembl_id": "CHEMBL4303525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.72", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "OMAVELOXOLONE (RTA-408)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833813", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPANOIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833813, "molecule_chembl_id": "CHEMBL867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.93", "alogp": "3.74", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "IOPANIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829433", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829433, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829319", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUCONAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829319, "molecule_chembl_id": "CHEMBL106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.28", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833487", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELAFIBRANOR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833487, "molecule_chembl_id": "CHEMBL3707395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.50", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "ELAFIBRANOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833678", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833678, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZOBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833468", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833468, "molecule_chembl_id": "CHEMBL3633556", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.35", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FERROSTATIN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828765", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALSARTAN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828765, "molecule_chembl_id": "CHEMBL1069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.53", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valsartan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3109", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALFUZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829587, "molecule_chembl_id": "CHEMBL1723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALFUZOSIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829592", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISINDIONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829592, "molecule_chembl_id": "CHEMBL712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANISINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2C(=O)c3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833612", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOTROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833612, "molecule_chembl_id": "CHEMBL1578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.35", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANISOTROPINE METHYLBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828741", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINOLONE ACETONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828741, "molecule_chembl_id": "CHEMBL989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.49", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluocinolone acetonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9398", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828430", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EDROPHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828430, "molecule_chembl_id": "CHEMBL1128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Edrophonium chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1419", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833667", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833667, "molecule_chembl_id": "CHEMBL4303150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.51", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MI-773 (SAR405838)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC1NC(C(=O)NC2CCC(O)CC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829518", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSCARNET SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829518, "molecule_chembl_id": "CHEMBL754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.95", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FOSCARNET SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828849", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXETIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828849, "molecule_chembl_id": "CHEMBL144673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.61", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hexetidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828854", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAROXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828854, "molecule_chembl_id": "CHEMBL539313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.75", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Efaroxan hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C2=NCCN2)Cc2ccccc2O1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833904", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833904, "molecule_chembl_id": "CHEMBL4303469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.76", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-26314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)NCc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828863", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETER", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828863, "molecule_chembl_id": "CHEMBL1200359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfameter"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0007753", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829324", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829324, "molecule_chembl_id": "CHEMBL276140", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.37", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-221284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833656", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MABUTEROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833656, "molecule_chembl_id": "CHEMBL86749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.75", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MABUTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829212", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALNETANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829212, "molecule_chembl_id": "CHEMBL10188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "5.49", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "TALNETANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833569, "molecule_chembl_id": "CHEMBL4072005", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC-707"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828962", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEFITINIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828962, "molecule_chembl_id": "CHEMBL939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.91", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Gefitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2901", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829326", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829326, "molecule_chembl_id": "CHEMBL54126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEOSTIGMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833395", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIPASUDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833395, "molecule_chembl_id": "CHEMBL3426621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.39", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RIPASUDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829525", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SURITOZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829525, "molecule_chembl_id": "CHEMBL278764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SURITOZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-24.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2cccc(F)c2)n(C)c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833819", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833819, "molecule_chembl_id": "CHEMBL4303414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.16", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MERCAPTOSUCCINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(S)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956731", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956731, "molecule_chembl_id": "CHEMBL498270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956706", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956706, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT-7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956730", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICHLORPHENAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956730, "molecule_chembl_id": "CHEMBL17", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.16", "alogp": "0.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICHLORPHENAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956734", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-203580", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956734, "molecule_chembl_id": "CHEMBL10", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.44", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 203580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956735", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956735, "molecule_chembl_id": "CHEMBL4591711", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.58", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ12260493"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)N1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccccc2)S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956673", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIMENHYDRINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956673, "molecule_chembl_id": "CHEMBL1200406", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.97", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DIMENHYDRINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956966", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956966, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADOXINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957455", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELETRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957455, "molecule_chembl_id": "CHEMBL1510", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.53", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eletriptan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962194", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962194, "molecule_chembl_id": "CHEMBL389946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.60", "alogp": "3.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TCS-2314"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(=O)O)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957458", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEP-32496", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957458, "molecule_chembl_id": "CHEMBL2029988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.46", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "CEP-32496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957459", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957459, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957597", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SR9011", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957597, "molecule_chembl_id": "CHEMBL1961797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.05", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SR9011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957598", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIRINAPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957598, "molecule_chembl_id": "CHEMBL3039522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "806.96", "alogp": "2.61", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "birinapant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957599", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957599, "molecule_chembl_id": "CHEMBL3823101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-9564"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957462", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N-METHYL-D-ASPARTIC ACID (NMDA)", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957462, "molecule_chembl_id": "CHEMBL291278", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NMDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957064", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957064, "molecule_chembl_id": "CHEMBL3913746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VPS34-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961673", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOXAPROP-P-ETHYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961673, "molecule_chembl_id": "CHEMBL2251729", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.78", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fenoxaprop-P-ethyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957471", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PD-168,077", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957471, "molecule_chembl_id": "CHEMBL45244", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168,077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962019", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPOXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962019, "molecule_chembl_id": "CHEMBL2106574", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.88", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapoxetine hydrochloride (Priligy)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957422", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-2461", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957422, "molecule_chembl_id": "CHEMBL1822792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.56", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MK-2461"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962025", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYUREA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962025, "molecule_chembl_id": "CHEMBL467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "76.05", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxyurea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957580", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957580, "molecule_chembl_id": "CHEMBL4303171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX02188"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957436", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957436, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prednisolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962035", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINOLINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962035, "molecule_chembl_id": "CHEMBL286204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "quinolinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959756", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HISTAMINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959756, "molecule_chembl_id": "CHEMBL1533310", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.07", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HISTAMINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961013", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961013, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955655", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CREATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955655, "molecule_chembl_id": "CHEMBL283800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Creatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956658", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELLIPTECINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956658, "molecule_chembl_id": "CHEMBL123", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ellipticine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-44.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956668", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRAHYDROZOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956668, "molecule_chembl_id": "CHEMBL1266", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRAHYDROZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCCC2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956906", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASIMELTEON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956906, "molecule_chembl_id": "CHEMBL2103822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TASIMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957740", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957740, "molecule_chembl_id": "CHEMBL3183531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956912", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENETHYLAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956912, "molecule_chembl_id": "CHEMBL610", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "121.18", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENETHYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956854", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAXOPRODIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956854, "molecule_chembl_id": "CHEMBL17350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.42", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TRAXOPRODIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956856", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956856, "molecule_chembl_id": "CHEMBL407717", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5&beta;-pregnane-3,20-dione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962088", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962088, "molecule_chembl_id": "CHEMBL1256415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-methoxytacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc3c(c(N)c2c1)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957657", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957657, "molecule_chembl_id": "CHEMBL2158347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.36", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML221"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962263", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962263, "molecule_chembl_id": "CHEMBL356066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LAQ824 (Dacinostat)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.875", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956777", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASELISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956777, "molecule_chembl_id": "CHEMBL2387080", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.54", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962224", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962224, "molecule_chembl_id": "CHEMBL4303147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Methylhydantoin-5-(L)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962318", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPORINAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962318, "molecule_chembl_id": "CHEMBL566757", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.52", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FK-866"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956973", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEMCENTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956973, "molecule_chembl_id": "CHEMBL3809489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.66", "alogp": "4.88", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "R428"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956986", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPOXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956986, "molecule_chembl_id": "CHEMBL2110900", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dapoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962210", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOPOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962210, "molecule_chembl_id": "CHEMBL1607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "457.91", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Topotecan (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962208", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPIGALOCATECHIN GALLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962208, "molecule_chembl_id": "CHEMBL297453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.38", "alogp": "2.23", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "(-)-Epigallocatechin Gallate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961685", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPHEDRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961685, "molecule_chembl_id": "CHEMBL2146102", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "201.70", "alogp": "1.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EPHEDRINE (1R;2S) HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)[C@H](O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152428, "molecule_chembl_id": "CHEMBL1447467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-239967"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1n[nH]c2cccc3c(OC)ccc1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961018", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PANTOTHENIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961018, "molecule_chembl_id": "CHEMBL1594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.24", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PANTOTHENIC_acid(d) Na salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148018", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMOLENIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148018, "molecule_chembl_id": "CHEMBL464982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.44", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "gamma-linolenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152548", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152548, "molecule_chembl_id": "CHEMBL1277122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.36", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD085944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1Cc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961023", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLEXANOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961023, "molecule_chembl_id": "CHEMBL1096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.30", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLEXANOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "117.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956255", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956255, "molecule_chembl_id": "CHEMBL394259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HUPERZINE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961038", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961038, "molecule_chembl_id": "CHEMBL4303433", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "128.13", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;5-furandimethanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956275", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956275, "molecule_chembl_id": "CHEMBL1423437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG13022"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C(/C#N)c2cccnc2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957879", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOSMAPIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957879, "molecule_chembl_id": "CHEMBL1088752", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LOSMAPIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957889", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VISMODEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957889, "molecule_chembl_id": "CHEMBL473417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.31", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VISMODEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957866", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957866, "molecule_chembl_id": "CHEMBL104264", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.37", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-89 DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957963", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957963, "molecule_chembl_id": "CHEMBL1374906", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.27", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-354608"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(S(=O)(=O)NC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957877", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957877, "molecule_chembl_id": "CHEMBL322970", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "359.73", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB 415286"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962554", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962554, "molecule_chembl_id": "CHEMBL97858", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.33", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS/C(N)=C(C#N)/C(C#N)=C(\\N)SC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957878", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957878, "molecule_chembl_id": "CHEMBL3808844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "560.56", "alogp": "6.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "LDC1267"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957818", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957818, "molecule_chembl_id": "CHEMBL3666807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "606.63", "alogp": "4.60", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD7594"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANACETRAPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957719, "molecule_chembl_id": "CHEMBL1800807", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "ANACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957667", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957667, "molecule_chembl_id": "CHEMBL260015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2109761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957680", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957680, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PIMASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962285", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENALAPRIL MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962285, "molecule_chembl_id": "CHEMBL1200659", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENALAPRIL MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962288", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMINOLEVULINIC ACID HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962288, "molecule_chembl_id": "CHEMBL1200582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "167.59", "alogp": "-0.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMINOLEVULINIC_acid HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.648", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957690", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROPINIROLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957690, "molecule_chembl_id": "CHEMBL589", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ROPINIROLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957691", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMLODIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957691, "molecule_chembl_id": "CHEMBL1491", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMLODIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957693", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957693, "molecule_chembl_id": "CHEMBL1933288", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.57", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX 02565"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961743", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961743, "molecule_chembl_id": "CHEMBL244559", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.25", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG 100713"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3cccc(O)c3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962217", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOBENZARIT SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962217, "molecule_chembl_id": "CHEMBL2107179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.65", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lobenzarit disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.042", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957375", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957375, "molecule_chembl_id": "CHEMBL3112866", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "354.41", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAR260301"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961974", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BORTEZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961974, "molecule_chembl_id": "CHEMBL325041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.25", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957808, "molecule_chembl_id": "CHEMBL3186202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.50", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "drospirenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1C1CC1C1C2CCC2(C)C1C1CC1C21CCC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961655", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PUMOSETRAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961655, "molecule_chembl_id": "CHEMBL1643880", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.39", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pumosetrag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.679", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962402", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NERIDRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962402, "molecule_chembl_id": "CHEMBL55214", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.15", "alogp": "-0.49", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Neridronate Sodium Salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957376", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SUPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957376, "molecule_chembl_id": "CHEMBL956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Suprofen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957499, "molecule_chembl_id": "CHEMBL2177161", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.53", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THEOBROMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961262, "molecule_chembl_id": "CHEMBL1114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "THEOBROMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c1c(=O)[nH]c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956378", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956378, "molecule_chembl_id": "CHEMBL161702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPA inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(Cc1ccccc1)CN(O)C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961456", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-755507", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961456, "molecule_chembl_id": "CHEMBL12998", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.74", "alogp": "4.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-755507"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956240", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956240, "molecule_chembl_id": "CHEMBL3355059", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.43", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MELK-TI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccc2c(c1)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956242", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFN-1252", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956242, "molecule_chembl_id": "CHEMBL1652621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFN-1252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960437", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA-SITOSTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960437, "molecule_chembl_id": "CHEMBL221542", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.72", "alogp": "8.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "alphaSitosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.804", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955666", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RETINYL ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955666, "molecule_chembl_id": "CHEMBL486193", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Retinol acetate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-42.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961558", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961558, "molecule_chembl_id": "CHEMBL512504", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-769662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961532", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NALOXEGOL OXALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961532, "molecule_chembl_id": "CHEMBL2219416", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "741.83", "alogp": "1.86", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Naloxegol (oxalate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958122", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958122, "molecule_chembl_id": "CHEMBL1409203", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.28", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-119261"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c3c(S)ncnc3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958050", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FIPRONIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958050, "molecule_chembl_id": "CHEMBL101326", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.15", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPRONIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962515", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962515, "molecule_chembl_id": "CHEMBL50112", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.29", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-IBP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.464", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957834", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISRADIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957834, "molecule_chembl_id": "CHEMBL1648", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "(S)-ISRADIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955555", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIENTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955555, "molecule_chembl_id": "CHEMBL609", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.24", "alogp": "-1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trientine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960330", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PYRIDOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960330, "molecule_chembl_id": "CHEMBL1200756", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIDOXINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CO)c(CO)c1O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960372", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960372, "molecule_chembl_id": "CHEMBL399021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.59", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVP-ADW742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.631", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](CN2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827449", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827449, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.91", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827450", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827450, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832171", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROURIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832171, "molecule_chembl_id": "CHEMBL1236475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "-2.84", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TETRAHYDROURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834007", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834007, "molecule_chembl_id": "CHEMBL4303624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.92", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BECLOMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828731", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIFAXIMIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828731, "molecule_chembl_id": "CHEMBL1617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "785.89", "alogp": "6.16", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rifaximin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1386", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833574", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833574, "molecule_chembl_id": "CHEMBL4084106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.27", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-04885614"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829908", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFURAZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829908, "molecule_chembl_id": "CHEMBL869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.14", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITROFURAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "87.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833461", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVELESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833461, "molecule_chembl_id": "CHEMBL3617964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "545.54", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ALVELESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830555", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZAPERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830555, "molecule_chembl_id": "CHEMBL340211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.40", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZAPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829073", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARECOLINE HYDROBROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829073, "molecule_chembl_id": "CHEMBL449209", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.11", "alogp": "0.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARECOLINE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.COC(=O)C1=CCCN(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827489", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTENAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827489, "molecule_chembl_id": "CHEMBL1200397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.94", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Butenafine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834368", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834368, "molecule_chembl_id": "CHEMBL4303403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOREDIPLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(C)c1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838940", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "HERG", "pchembl_value": "5.00", "bao_label": "cell membrane format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303779", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL240", "activity_id": 18838940, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": "Cell membranes", "cell_chembl_id": "CHEMBL3307715", "assay_cell_type": "HEK293", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells", "bao_format": "BAO_0000249"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827287", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827287, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831993", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFISOXAZOLE ACETYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831993, "molecule_chembl_id": "CHEMBL1200910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.35", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFISOXAZOLE ACETYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835469", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZELNIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835469, "molecule_chembl_id": "CHEMBL1275868", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.66", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Azelnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0227", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838945", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2c adrenergic receptor", "pchembl_value": "5.00", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303088", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1916", "activity_id": 18838945, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "ligand_efficiency": {"lle": "0.85", "sei": "17.08", "bei": "17.71", "le": "0.33"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832164", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832164, "molecule_chembl_id": "CHEMBL1235786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.67", "alogp": "5.20", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MPS1-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830745", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3,5-DINITROCATECHOL (OR-486)", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830745, "molecule_chembl_id": "CHEMBL168276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.11", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OR-486"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830033", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830033, "molecule_chembl_id": "CHEMBL2130744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.82", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPISETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "47.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835259", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXIMONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835259, "molecule_chembl_id": "CHEMBL249856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enoximone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835242", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMEMORFAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835242, "molecule_chembl_id": "CHEMBL2106325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.41", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dimemorfan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08461", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830538", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPARACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830538, "molecule_chembl_id": "CHEMBL1200464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.86", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPARACAINE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827466", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827466, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.199", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830743", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830743, "molecule_chembl_id": "CHEMBL169233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.10", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "2-APB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCOB(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830760", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-SECOISOLARICIRESINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830760, "molecule_chembl_id": "CHEMBL368347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.42", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SECOISOLARICIRESINOL-(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833643", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833643, "molecule_chembl_id": "CHEMBL378081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEXAMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828744", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828744, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ezetimibe"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833583", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833583, "molecule_chembl_id": "CHEMBL4226052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "923.45", "alogp": "5.77", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "ARV-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827263", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "QUINACRINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827263, "molecule_chembl_id": "CHEMBL7568", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "399.97", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Quinacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14710.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827359", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.31", "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303826", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827359, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4940.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827695", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVERINE CITRATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827695, "molecule_chembl_id": "CHEMBL1408594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alverine citrate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7629", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832068", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HEXAMINOLEVULINATE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832068, "molecule_chembl_id": "CHEMBL1201785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.75", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HEXAMINOLEVULINATE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOC(=O)CCC(=O)CN.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832402", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISBUFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832402, "molecule_chembl_id": "CHEMBL1453416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.28", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISBUFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834145", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-PICOLINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834145, "molecule_chembl_id": "CHEMBL72628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PICOLINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827391", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IMATINIB MESYLATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827391, "molecule_chembl_id": "CHEMBL1642", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "589.72", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Imatinib Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30860.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838910", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838910, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.913", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831960", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTENIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831960, "molecule_chembl_id": "CHEMBL36342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.84", "alogp": "9.63", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "OCTENIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838913", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838913, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.59", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827262", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROSCILLARIDIN", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827262, "molecule_chembl_id": "CHEMBL600325", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "530.66", "alogp": "3.01", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Proscillaridin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827384", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827384, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11880.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838901", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838901, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olanzapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "304.4", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956899", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956899, "molecule_chembl_id": "CHEMBL4563773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "calcipotriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C/C=C2\\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956901", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEOXYCHOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956901, "molecule_chembl_id": "CHEMBL406393", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEOXYCHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956748", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956748, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eltrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148437", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENCORAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148437, "molecule_chembl_id": "CHEMBL3301612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.02", "alogp": "3.91", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ENCORAFENIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152943", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152943, "molecule_chembl_id": "CHEMBL457614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.84", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1332"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148441", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148441, "molecule_chembl_id": "CHEMBL1483", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.34", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALBENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152949", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALLITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152949, "molecule_chembl_id": "CHEMBL1947204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.89", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AST-1306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148728", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORBIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148728, "molecule_chembl_id": "CHEMBL295433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORBIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153239", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINGOLIMOD HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153239, "molecule_chembl_id": "CHEMBL544665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.94", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fingolimod (FTY720) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149918", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIOTROPIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149918, "molecule_chembl_id": "CHEMBL3545181", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.44", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiotropium Bromide hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154421", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOPERAMIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154421, "molecule_chembl_id": "CHEMBL841", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.05", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149920", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOCARBAMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149920, "molecule_chembl_id": "CHEMBL1201117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOCARBAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154424", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154424, "molecule_chembl_id": "CHEMBL481512", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "408.63", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MCOPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149924", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOTHIEPIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149924, "molecule_chembl_id": "CHEMBL1711280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.91", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dosulepin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150306", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMPERIDOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150306, "molecule_chembl_id": "CHEMBL28218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150307", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHRYSOPHANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150307, "molecule_chembl_id": "CHEMBL41092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chrysophanic_acid (Chrysophanol)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRETAZENIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148501, "molecule_chembl_id": "CHEMBL366947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.29", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bretazenil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151490", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151490, "molecule_chembl_id": "CHEMBL1564869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153262, "molecule_chembl_id": "CHEMBL3184878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.37", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiazovivin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960534", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MK-0752", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960534, "molecule_chembl_id": "CHEMBL4205422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.91", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MK-0752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.685", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148528", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRULIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148528, "molecule_chembl_id": "CHEMBL422648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRULIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148864", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASCORBYL PALMITATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148864, "molecule_chembl_id": "CHEMBL220190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.54", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASCORBYL PALMITATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149327", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149327, "molecule_chembl_id": "CHEMBL4303520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.25", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bromantan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150195", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETYL ALCOHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150195, "molecule_chembl_id": "CHEMBL706", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.45", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "1-Hexadecanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150317", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150317, "molecule_chembl_id": "CHEMBL446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMETHAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150322", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBIDECARENONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150322, "molecule_chembl_id": "CHEMBL454801", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "863.36", "alogp": "17.85", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "coenzyme-q10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)=C(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147213", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147213, "molecule_chembl_id": "CHEMBL201945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.60", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "compound 24 [PMID: 16451050]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HISPIDULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956250, "molecule_chembl_id": "CHEMBL293776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HISPIDULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961255", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961255, "molecule_chembl_id": "CHEMBL321820", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.62", "alogp": "4.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD-123319"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148218", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148218, "molecule_chembl_id": "CHEMBL193482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "estriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152723", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152723, "molecule_chembl_id": "CHEMBL4075936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.86", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FPS-ZM1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152725", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152725, "molecule_chembl_id": "CHEMBL1309134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.36", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601979"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152727", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISINDOLYLMALEIMIDE IX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152727, "molecule_chembl_id": "CHEMBL6291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.56", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISINDOLYLMALEIMIDE IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964333", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.00", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964333, "molecule_chembl_id": "CHEMBL271023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.27", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-106-9920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "[O-][S+](c1ccccc1)c1ccc2nnnn2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959729", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959729, "molecule_chembl_id": "CHEMBL1096283", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.26", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Walrycin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964336", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964336, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959739", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959739, "molecule_chembl_id": "CHEMBL2064571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CZC24832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149703", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REPOTRECTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149703, "molecule_chembl_id": "CHEMBL4298138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.37", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "TPX-0005"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964433", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIRAM", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964433, "molecule_chembl_id": "CHEMBL120563", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.44", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=S)SSC(=S)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964436", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIHYDREXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964436, "molecule_chembl_id": "CHEMBL1256832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydrexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956875", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956875, "molecule_chembl_id": "CHEMBL3087498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "618.58", "alogp": "3.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGC0946"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956989", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956989, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EFAVIRENZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957083", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANS-ASARONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957083, "molecule_chembl_id": "CHEMBL333306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.26", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-Asarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/c1cc(OC)c(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957092", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPRAGLIFLOZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957092, "molecule_chembl_id": "CHEMBL2018096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.46", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ipragliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962216", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMEGLIMIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962216, "molecule_chembl_id": "CHEMBL4297514", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "155.21", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Imeglimin (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1N=C(N(C)C)N=C(N)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962544", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TASIMELTEON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962544, "molecule_chembl_id": "CHEMBL2103822", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.32", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tasimelteon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.176", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961750", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYLBENZETHONIUM CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961750, "molecule_chembl_id": "CHEMBL1321398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "462.12", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "METHYLBENZETHONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEXTURASTAT A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957622, "molecule_chembl_id": "CHEMBL2179618", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "341.41", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NEXTURASTAT A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957151", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957151, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAMIBAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957098", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957098, "molecule_chembl_id": "CHEMBL4439276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "829.27", "alogp": "7.76", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "S63845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2c(-c3ccc(F)o3)sc3ncnc(O[C@H](Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962151", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962151, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLMITRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957404", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957404, "molecule_chembl_id": "CHEMBL3183703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MCC950"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962153", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB-202190", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962153, "molecule_chembl_id": "CHEMBL278041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.35", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-202190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962155", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962155, "molecule_chembl_id": "CHEMBL4303622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.29", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PR-619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CSc1cc(SC#N)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962156", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHIMAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962156, "molecule_chembl_id": "CHEMBL1515", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.17", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.262", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc[nH]c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957565", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MICONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957565, "molecule_chembl_id": "CHEMBL91", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.14", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962166", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962166, "molecule_chembl_id": "CHEMBL370152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.34", "alogp": "6.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "nTZDpa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.252", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961675", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BECLAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961675, "molecule_chembl_id": "CHEMBL64195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "197.66", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BECLAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961678", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPSAZEPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961678, "molecule_chembl_id": "CHEMBL391997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.91", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "capsazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957470", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OLAPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957470, "molecule_chembl_id": "CHEMBL521686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.47", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OLAPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962071", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962071, "molecule_chembl_id": "CHEMBL1236602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.13", "alogp": "0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cis-urocanic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.786", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962212", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962212, "molecule_chembl_id": "CHEMBL47529", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-28080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.945", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(OCc3ccccc3)cccn2c1CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961945", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOCOSANOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961945, "molecule_chembl_id": "CHEMBL1200453", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.61", "alogp": "7.80", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DOCOSANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.351", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150220", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "COMBRETASTATIN A4", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150220, "molecule_chembl_id": "CHEMBL67", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.35", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CSA-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960461", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ADRENOTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960461, "molecule_chembl_id": "CHEMBL485683", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.40", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Adrenosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955685", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIGUSTRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955685, "molecule_chembl_id": "CHEMBL303697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chuanxiongzine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(C)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152440", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFENPIRAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152440, "molecule_chembl_id": "CHEMBL1489662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.35", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "difenpiramide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147937", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147937, "molecule_chembl_id": "CHEMBL348890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.43", "alogp": "6.48", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DR-4485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)c3c2C1(CCCCN1CC=C(c2ccc(Cl)cc2)CC1)CCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150234", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AES-103", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150234, "molecule_chembl_id": "CHEMBL185885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-(Hydroxymethyl)furan-2-carbaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148325", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIOCHANIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148325, "molecule_chembl_id": "CHEMBL131921", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Biochanin A (4-Methylgenistein)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148197", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148197, "molecule_chembl_id": "CHEMBL3307202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.28", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-2-Undecenoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830347", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAPHENAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830347, "molecule_chembl_id": "CHEMBL1109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAPHENAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829976", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLPIDEM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829976, "molecule_chembl_id": "CHEMBL911", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.40", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLPIDEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830579", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RANIRESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830579, "molecule_chembl_id": "CHEMBL334830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.19", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RANIRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833730", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISODAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833730, "molecule_chembl_id": "CHEMBL2165224", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ANISODAMINE HYDROBROMIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829119", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GF-109203", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829119, "molecule_chembl_id": "CHEMBL7463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GF109203X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829302, "molecule_chembl_id": "CHEMBL13564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.21", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BZA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1ccc(I)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835142", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.122109259,0.089773343)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THYMOQUINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835142, "molecule_chembl_id": "CHEMBL1672002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Thymoquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1059", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)C(C(C)C)=CC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830444", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTINICLINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830444, "molecule_chembl_id": "CHEMBL2146093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.33", "alogp": "1.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTINICLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cncc([C@@H]2CCCN2C)c1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835602", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.089912294,0.024001657)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSUVASTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835602, "molecule_chembl_id": "CHEMBL1496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.55", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rosuvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05696", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINELORANE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830701, "molecule_chembl_id": "CHEMBL1486918", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.28", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-163,502.2HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835406", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYPROGESTERONE CAPROATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835406, "molecule_chembl_id": "CHEMBL1200848", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "17-hydroxyprogesterone-caproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1371", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830702", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830702, "molecule_chembl_id": "CHEMBL154745", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.27", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-DEAZANEPLANOCIN A (DZNEP) HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835610", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROVAFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835610, "molecule_chembl_id": "CHEMBL428", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.36", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trovafloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.134", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838845", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838845, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835032", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONDANSETRON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835032, "molecule_chembl_id": "CHEMBL46", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.37", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ONDANSETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03849", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832646", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TREPIBUTONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832646, "molecule_chembl_id": "CHEMBL1725880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TREPIBUTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835042", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMIROLAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835042, "molecule_chembl_id": "CHEMBL1201198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.22", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pemirolast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830545", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACAINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830545, "molecule_chembl_id": "CHEMBL127123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENACAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/N=C(\\C)Nc2ccc(OCC)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832655", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALECTINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832655, "molecule_chembl_id": "CHEMBL1738797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.63", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alectinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833809", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833809, "molecule_chembl_id": "CHEMBL3039186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.47", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830462", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NYLIDRIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830462, "molecule_chembl_id": "CHEMBL1204337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NYLIDRIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830464", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-METHYLXANTHINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830464, "molecule_chembl_id": "CHEMBL321248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.14", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "7-METHYLXANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2nc(O)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835617", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACARBAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835617, "molecule_chembl_id": "CHEMBL476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.19", "alogp": "0.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dacarbazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835475", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALOXAVIR MARBOXIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835475, "molecule_chembl_id": "CHEMBL4297503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "571.56", "alogp": "3.39", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Baloxavir marboxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.000057", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836463", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEANINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836463, "molecule_chembl_id": "CHEMBL3039113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "-0.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Theanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04805", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830787", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NERATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830787, "molecule_chembl_id": "CHEMBL180022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.05", "alogp": "5.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Neratinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835493", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROGUANIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835493, "molecule_chembl_id": "CHEMBL1377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.74", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroguanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830708", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSORBIDE MONONITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830708, "molecule_chembl_id": "CHEMBL1311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.14", "alogp": "-1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOSORBIDE MONONITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835416", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIRATERONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835416, "molecule_chembl_id": "CHEMBL254328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.52", "alogp": "5.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "abiraterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838776", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST AGONIST", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838776, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.987", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830604", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBUTYNIN CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830604, "molecule_chembl_id": "CHEMBL1133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.96", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYBUTYNIN CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830611", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830611, "molecule_chembl_id": "CHEMBL343545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "462.54", "alogp": "2.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE HEMISUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835576", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBUTYNIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835576, "molecule_chembl_id": "CHEMBL1231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.49", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYBUTYNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1254", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835055", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835055, "molecule_chembl_id": "CHEMBL1412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "86.14", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CNCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838819", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M3", "pchembl_value": "5.32", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303775", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL245", "activity_id": 18838819, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4786.3", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "1.54", "sei": "10.99", "bei": "15.84", "le": "0.32"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831870", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-1070916", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831870, "molecule_chembl_id": "CHEMBL1090479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.64", "alogp": "5.94", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "GSK-1070916"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832654", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONVANSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832654, "molecule_chembl_id": "CHEMBL1738758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.53", "alogp": "1.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NMS-1286937"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834585", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834585, "molecule_chembl_id": "CHEMBL4303410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.47", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCHISANDRIN B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829892", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829892, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834599", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834599, "molecule_chembl_id": "CHEMBL4303295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD-9876"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835006", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIDOFOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835006, "molecule_chembl_id": "CHEMBL152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.19", "alogp": "-1.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cidofovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01896", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835414", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835414, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6-Thioguanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834976", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPROPERINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834976, "molecule_chembl_id": "CHEMBL2105910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.45", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benproperine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1Cc1ccccc1)N1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834978", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZTROPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834978, "molecule_chembl_id": "CHEMBL1201203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.44", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835192", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAZEDOXIFENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835192, "molecule_chembl_id": "CHEMBL46740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.61", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bazedoxifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835194", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE ACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835194, "molecule_chembl_id": "CHEMBL1200538", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "betamethasone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830569, "molecule_chembl_id": "CHEMBL337173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.76", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-663284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830573", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830573, "molecule_chembl_id": "CHEMBL335231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.12", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-966-(R)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCN(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835577", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYMETAZOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835577, "molecule_chembl_id": "CHEMBL762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxymetazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830691", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830691, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830214", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830214, "molecule_chembl_id": "CHEMBL1600943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.76", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Cl.c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834923", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834923, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "XL184"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834910", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VERAPAMIL", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834910, "molecule_chembl_id": "CHEMBL6966", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "454.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VERAPAMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830205", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISTRADEFYLLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830205, "molecule_chembl_id": "CHEMBL431770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.44", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISTRADEFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834913", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUPARVAQUONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834913, "molecule_chembl_id": "CHEMBL292009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "buparvaquone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02451", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@H]1CC[C@H](CC2=C(O)C(=O)c3ccccc3C2=O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830207", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NONIVAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830207, "molecule_chembl_id": "CHEMBL75124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NONIVAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834906", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834906, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827212", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.20", "bao_label": "organism-based format", "molecule_pref_name": "PERHEXILINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827212, "molecule_chembl_id": "CHEMBL75880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.50", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Perhexiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6380.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839039", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE IC50 == CC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.41", "bao_label": "organism-based format", "molecule_pref_name": "SILMITASERTIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839039, "molecule_chembl_id": "CHEMBL1230165", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.78", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Silmitasertib (CX-4945)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3890.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838900", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLANZAPINE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838900, "molecule_chembl_id": "CHEMBL715", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.44", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olanzapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "288.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827251", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LUSUTROMBOPAG", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827251, "molecule_chembl_id": "CHEMBL2107831", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "591.56", "alogp": "8.52", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lusutrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14610.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\\C)C(=O)O)c(Cl)c3)n2)c1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827252", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827252, "molecule_chembl_id": "CHEMBL416956", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "378.32", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13970.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829480", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829480, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRANLUKAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834181", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP1-1189", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834181, "molecule_chembl_id": "CHEMBL4297369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830046", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPSAICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830046, "molecule_chembl_id": "CHEMBL294199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CAP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838922", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2a adrenergic receptor", "pchembl_value": "5.82", "bao_label": "single protein format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303095", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1867", "activity_id": 18838922, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1513.56", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "ligand_efficiency": {"lle": "0.97", "sei": "37.05", "bei": "15.71", "le": "0.29"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832721", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832721, "molecule_chembl_id": "CHEMBL1870961", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.81", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOFEDANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833121", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833121, "molecule_chembl_id": "CHEMBL2311578", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.68", "alogp": "5.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NMS-873"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833068", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CATHARANTHINE BASE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833068, "molecule_chembl_id": "CHEMBL2163793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.44", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CATHARANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838838", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "PARTIAL ACTIVE CC50==IC50", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.71", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838838, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "192.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827551", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASABUVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827551, "molecule_chembl_id": "CHEMBL3137312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dasabuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.184", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832075", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSBRETABULIN DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832075, "molecule_chembl_id": "CHEMBL289351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.30", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FOSBRETABULIN (DISODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827602", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMPHENICOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827602, "molecule_chembl_id": "CHEMBL130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.13", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chloramphenicol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0006413", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827603", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRIZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827603, "molecule_chembl_id": "CHEMBL1411693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPIRIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0841", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)nc(-n2nc(C)cc2OC)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834153", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834153, "molecule_chembl_id": "CHEMBL3039333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.14", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCONOLACTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834156", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834156, "molecule_chembl_id": "CHEMBL4303266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-ETHOXYBENZOIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829241", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829241, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LOVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838919", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC90", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303778", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838919, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "278.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC90 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line by measuring infectious viral titer of supernatent from compound-treated Vero E6 cells by Median Tissue Culture Infectious Dose (TCID)50 by the method of Reed and Muench", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827272", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827272, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.71", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831975", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESOXYCORTICOSTERONE PIVALATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831975, "molecule_chembl_id": "CHEMBL1200592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DESOXYCORTICOSTERONE-PIVALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-25.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832319", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832319, "molecule_chembl_id": "CHEMBL1373467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.24", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIPHENCYPRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccccc2)c1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832326", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLORISONE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832326, "molecule_chembl_id": "CHEMBL1385514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.38", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICHLORISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827625", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLAZOLINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827625, "molecule_chembl_id": "CHEMBL1689", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolazoline hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05787", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(CC2=NCCN2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828039", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRIBEDIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828039, "molecule_chembl_id": "CHEMBL1371770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piribedil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.376", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828417", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALTHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828417, "molecule_chembl_id": "CHEMBL599870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.90", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Althiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832338", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832338, "molecule_chembl_id": "CHEMBL1398529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827546", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLSCOPOLAMINE BROMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827546, "molecule_chembl_id": "CHEMBL1256901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.38", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "N-Butylscopolammonium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02601", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METICRANE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832250, "molecule_chembl_id": "CHEMBL1318341", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "0.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METICRANE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827564", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALOTHIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827564, "molecule_chembl_id": "CHEMBL1632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.43", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalothin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1149", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961715", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961715, "molecule_chembl_id": "CHEMBL2047943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.52", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MPI-0479605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.726", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957118", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZILECT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957118, "molecule_chembl_id": "CHEMBL1235738", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "171.24", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RASAGILINE MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN[C@H]1CCc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CC-401", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961719, "molecule_chembl_id": "CHEMBL1614713", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.48", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-401 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957047", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TYRAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957047, "molecule_chembl_id": "CHEMBL11608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.18", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TYRAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957039", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957039, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Palmitoylethanolamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148330", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZAMIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148330, "molecule_chembl_id": "CHEMBL212579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.76", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZAMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956647", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956647, "molecule_chembl_id": "CHEMBL3342358", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.91", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPR39-C3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152753", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LAZERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152753, "molecule_chembl_id": "CHEMBL4558324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.66", "alogp": "4.10", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Lazertinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152755", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VX-702", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152755, "molecule_chembl_id": "CHEMBL1090090", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.32", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-702"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148734", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148734, "molecule_chembl_id": "CHEMBL95889", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "118.16", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "betaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151506", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151506, "molecule_chembl_id": "CHEMBL4303305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.81", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LH846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147545", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147545, "molecule_chembl_id": "CHEMBL2381342", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX02189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148337", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "3-AMINOBENZAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148337, "molecule_chembl_id": "CHEMBL81977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.15", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-amino-benzamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956656", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956656, "molecule_chembl_id": "CHEMBL2312168", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LMK-235"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828499", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828499, "molecule_chembl_id": "CHEMBL632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betamethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2828", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828502", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828502, "molecule_chembl_id": "CHEMBL426", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.45", "alogp": "0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amethopterin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6955", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833213", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANIRIXIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833213, "molecule_chembl_id": "CHEMBL3039531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.91", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DANIRIXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834415", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834415, "molecule_chembl_id": "CHEMBL4303394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(R)-OXIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1C[C@H](O)CC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834836", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RAVUCONAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834836, "molecule_chembl_id": "CHEMBL294029", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RAVUCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828532", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXCARBAZEPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828532, "molecule_chembl_id": "CHEMBL1068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXCARBAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.003713", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2CC(=O)c2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827969", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827969, "molecule_chembl_id": "CHEMBL2362510", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.59", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Alfacalcidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832678", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMTOLMETIN GUACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832678, "molecule_chembl_id": "CHEMBL1766570", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.47", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMTOLMETIN-GUACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828067", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828067, "molecule_chembl_id": "CHEMBL4303648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "941.14", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Benzathine benzylpenicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.006", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833035", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADATANSERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833035, "molecule_chembl_id": "CHEMBL2111138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.51", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADATANSERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828108", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828108, "molecule_chembl_id": "CHEMBL4303438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.37", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-) Eseroline fumarate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7056", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@H]12.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834662", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834662, "molecule_chembl_id": "CHEMBL4303713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "764.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MIRIPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834674", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "0.2 \u00b1 0.01", "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.70", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834674, "molecule_chembl_id": "CHEMBL71191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN AG 1296 (AG 1296)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "200.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncc(-c3ccccc3)nc2cc1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828667", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828667, "molecule_chembl_id": "CHEMBL3186966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.15", "alogp": "8.81", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Indometacin farnesil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829732", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMINAZENE DIACETURATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829732, "molecule_chembl_id": "CHEMBL380216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.53", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMINAZENE ACETURATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834732", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "19.11 \u00b1 0.47", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": "LOPINAVIR", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834732, "molecule_chembl_id": "CHEMBL729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.81", "alogp": "4.33", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPINAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19110.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834733", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "19.23 \u00b1 0.7", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.72", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834733, "molecule_chembl_id": "CHEMBL1951415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.40", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-670462"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19230.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834618", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HESPERIDIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834618, "molecule_chembl_id": "CHEMBL449317", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.57", "alogp": "-1.16", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Hesperidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832705", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETILEVODOPA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832705, "molecule_chembl_id": "CHEMBL1823681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ETILEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832757", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIBOFLAPON SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832757, "molecule_chembl_id": "CHEMBL1922673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "659.83", "alogp": "8.98", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "FIBOFLAPON SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830519", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830519, "molecule_chembl_id": "CHEMBL332148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-MONOMETHYLARGININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](CCCNC(=N)N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836503", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URACIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836503, "molecule_chembl_id": "CHEMBL566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "112.09", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2028", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830233", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIANIDANOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830233, "molecule_chembl_id": "CHEMBL311498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CIANIDANOL [+-CATECHIN]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831362", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOZASERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831362, "molecule_chembl_id": "CHEMBL572878", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.60", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VX-680 (MK-0457, TOZASERTIB)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836283", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBRUTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836283, "molecule_chembl_id": "CHEMBL1873475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.51", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ibrutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832829", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832829, "molecule_chembl_id": "CHEMBL2029422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.60", "alogp": "3.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-4136309"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831546", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831546, "molecule_chembl_id": "CHEMBL492591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.12", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEP-227900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2occc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831920", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831920, "molecule_chembl_id": "CHEMBL1173670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.30", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "HA-130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1S/C(=C\\c2ccc(OCc3cccc(B(O)O)c3)cc2)C(=O)N1Cc1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836481", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOPOSIDE PHOSPHATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836481, "molecule_chembl_id": "CHEMBL1200645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.54", "alogp": "1.10", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "etoposide-phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05858", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838729", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M5", "pchembl_value": "4.66", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303777", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL2035", "activity_id": 18838729, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21877.62", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "-0.15", "sei": "16.55", "bei": "14.57", "le": "0.29"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828219", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOFEPRAMINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828219, "molecule_chembl_id": "CHEMBL87708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.97", "alogp": "5.78", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Lofepramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832623", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832623, "molecule_chembl_id": "CHEMBL1688861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.57", "alogp": "5.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ML-786"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "105.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832930", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCADIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832930, "molecule_chembl_id": "CHEMBL2105082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.39", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GEMCADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)CCCCCCC(C)(C)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828240", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBENICILLIN DISODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828240, "molecule_chembl_id": "CHEMBL606260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.37", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbenicillin disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1926", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836042", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836042, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tranilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2555", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836043", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAVOPROST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836043, "molecule_chembl_id": "CHEMBL1200799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "500.55", "alogp": "4.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Travoprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833020", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOFOGLIFLOZIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833020, "molecule_chembl_id": "CHEMBL2110731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.44", "alogp": "1.00", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TOFOGLIFLOZIN (HYDRATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831363", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DANUSERTIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831363, "molecule_chembl_id": "CHEMBL402548", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.57", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "DANUSERTIB (PHA-739358)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828133", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLAVULANATE POTASSIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828133, "molecule_chembl_id": "CHEMBL1003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.25", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clavulanate potassium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3296", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838750", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPERASTINE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838750, "molecule_chembl_id": "CHEMBL415087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.87", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cloperastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "223.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828137", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELENGESTROL ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828137, "molecule_chembl_id": "CHEMBL1328968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.53", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Melengestrol acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832847", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832847, "molecule_chembl_id": "CHEMBL2048872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838686", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "5.90", "bao_label": "single protein format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838686, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1258.93", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "ligand_efficiency": {"lle": "0.55", "sei": "13.94", "bei": "12.87", "le": "0.24"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836200", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZILPATEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836200, "molecule_chembl_id": "CHEMBL2218907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.32", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zilpaterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2417", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831337", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENCICLOVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831337, "molecule_chembl_id": "CHEMBL1540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENCICLOVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836210", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICHLOROPHEN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836210, "molecule_chembl_id": "CHEMBL33845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.13", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dichlorophen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836212", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLORASONE DIACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836212, "molecule_chembl_id": "CHEMBL1200545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "diflorasone-diacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08777", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838847", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORATADINE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838847, "molecule_chembl_id": "CHEMBL998", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.89", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loratadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "230.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831643", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831643, "molecule_chembl_id": "CHEMBL525191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.38", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GDC-0879"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2ccc3c(c2)CC/C3=N\\O)c(-c2ccncc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831501, "molecule_chembl_id": "CHEMBL502124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.09", "alogp": "5.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AURORA-A-INHIBITOR-I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827321", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "IC50", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISOMYCIN", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827321, "molecule_chembl_id": "CHEMBL423192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.31", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anisomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829797", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829797, "molecule_chembl_id": "CHEMBL826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.32", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SID494643"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829861", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENPERIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829861, "molecule_chembl_id": "CHEMBL297302", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.45", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENPERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834568", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834568, "molecule_chembl_id": "CHEMBL4303476", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.66", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DOXERCALCIFEROL (HECTOROL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C/C=C2\\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829871", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBARIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829871, "molecule_chembl_id": "CHEMBL46917", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.22", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBARIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Oc1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835707", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835707, "molecule_chembl_id": "CHEMBL1201323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "111.15", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "betazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1cc[nH]n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829342", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANDOSPIRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829342, "molecule_chembl_id": "CHEMBL274047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.50", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TANDOSPIRONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833756", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERODILINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833756, "molecule_chembl_id": "CHEMBL363295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.44", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TERODILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827685", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORZOXAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827685, "molecule_chembl_id": "CHEMBL1371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "169.57", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorzoxazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06344", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(Cl)ccc2o1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827688", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAFENIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827688, "molecule_chembl_id": "CHEMBL1593568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.70", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MAFENIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830151", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOFLAXONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830151, "molecule_chembl_id": "CHEMBL443793", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.28", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(4-OXO-2-PHENYL-4H-CHROMEN-8-YL)ACETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834050", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXAMETHASONE SODIUM PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834050, "molecule_chembl_id": "CHEMBL2021430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.41", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXAMETHASONE SODIUM PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831897", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831897, "molecule_chembl_id": "CHEMBL1086484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.53", "alogp": "6.79", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK9027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(Cc1ccccc1)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836564", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.593796312,0.59307348)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836564, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Remdesivir (GS-5734)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5934", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833251", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIVAMPICILLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833251, "molecule_chembl_id": "CHEMBL3182343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIVAMPICILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828551", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOBRAMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828551, "molecule_chembl_id": "CHEMBL1747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.52", "alogp": "-6.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Tobramycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833254", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APALUTAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833254, "molecule_chembl_id": "CHEMBL3183409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.44", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ARN-509"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833256", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833256, "molecule_chembl_id": "CHEMBL3183703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MCC950"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831562", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831562, "molecule_chembl_id": "CHEMBL499458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "824.97", "alogp": "3.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VINCRISTINE (SULFATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830358", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830358, "molecule_chembl_id": "CHEMBL97771", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.41", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SRC-KINASE-INHIBITOR-I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830219", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIFEDIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830219, "molecule_chembl_id": "CHEMBL1040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.65", "alogp": "6.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CALCIFEDIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838991", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL SHARP FALL OFF AT 10 UM, CELLS 75% MAYBE OFF TARGET?", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838991, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830818", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830818, "molecule_chembl_id": "CHEMBL186526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZM-336372"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835523", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMARIGLIPTIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835523, "molecule_chembl_id": "CHEMBL2105762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "1.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Omarigliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.162", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835521", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.125162776,0.088549182)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLOPATADINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835521, "molecule_chembl_id": "CHEMBL1189432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olopatadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834925", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.236390043,0.091424921)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834925, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830230", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIPENAMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830230, "molecule_chembl_id": "CHEMBL310160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.35", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIPENAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCc1ccccc1Sc1ccccc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831495", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831495, "molecule_chembl_id": "CHEMBL514344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.96", "alogp": "6.33", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SANT-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "84.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838829", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838829, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "279.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827176", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.29", "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827176, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831581", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELTROMBOPAG OLAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831581, "molecule_chembl_id": "CHEMBL3989691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.64", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELTROMBOPAG OLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO.NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838843", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838843, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.08", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830356", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THEOBROMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830356, "molecule_chembl_id": "CHEMBL1114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "THEOBROMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c1c(=O)[nH]c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834995", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFONICID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834995, "molecule_chembl_id": "CHEMBL1601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.58", "alogp": "-0.92", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefonicid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05091", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830801", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830801, "molecule_chembl_id": "CHEMBL181633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.37", "alogp": "4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AM-630, IODOPRAVADOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828810", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZAFIRLUKAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828810, "molecule_chembl_id": "CHEMBL603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.69", "alogp": "5.70", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Zafirlukast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828811", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACIPIMOX", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828811, "molecule_chembl_id": "CHEMBL345714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.12", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Acipimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)O)c[n+]1[O-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834311", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834311, "molecule_chembl_id": "CHEMBL4303220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DIFLUPREDNATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833080", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833080, "molecule_chembl_id": "CHEMBL2177161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.53", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD2858"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828378", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOFEZOLAC", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828378, "molecule_chembl_id": "CHEMBL259972", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.35", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mofezolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1442", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833808, "molecule_chembl_id": "CHEMBL9871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.21", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": null}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833394", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833394, "molecule_chembl_id": "CHEMBL3422104", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MPS-BAY-2A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CNc1nc(-c2cccc3ncccc23)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833675", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833675, "molecule_chembl_id": "CHEMBL4303256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.05", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALCLOMETASONE-DIPROPIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2C3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834627", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834627, "molecule_chembl_id": "CHEMBL4303340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.02", "alogp": "4.26", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Y-320"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLENBUTEROL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829928, "molecule_chembl_id": "CHEMBL1330729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.66", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLENBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829930", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOECHST 33258", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829930, "molecule_chembl_id": "CHEMBL301735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.51", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOECHST 33258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829931", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829931, "molecule_chembl_id": "CHEMBL45827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.52", "alogp": "6.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-161570"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "108.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834751", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "2584.38 \u00b1 4383.82", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834751, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "REMDESIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2584380.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834819", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834819, "molecule_chembl_id": "CHEMBL4303661", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.82", "alogp": "9.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC1NDSS5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835340", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMISOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835340, "molecule_chembl_id": "CHEMBL1454", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.30", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levamisole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc([C@H]2CN3CCSC3=N2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834416", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-03882845", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834416, "molecule_chembl_id": "CHEMBL3545175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 1, "image_file": "smallMolecule.svg", "compound_key": "PF-03882845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "58.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836228", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYNODIOL DIACETATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836228, "molecule_chembl_id": "CHEMBL1200624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.52", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ethynodiol-diacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2574", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836484", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE ELAIDATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836484, "molecule_chembl_id": "CHEMBL3039516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.65", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Gemcitabine (elaidate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08488", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838984", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838984, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.99", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836531", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NYLIDRIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836531, "molecule_chembl_id": "CHEMBL114655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.41", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nylidrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.0447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838851", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE ", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LOVASTATIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838851, "molecule_chembl_id": "CHEMBL503", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "404.55", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lovastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.964", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832830", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEP-32496", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832830, "molecule_chembl_id": "CHEMBL2029988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.46", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "CEP-32496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836497", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUCLIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836497, "molecule_chembl_id": "CHEMBL1201271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.04", "alogp": "6.54", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "buclizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831817", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOPIDOGREL BISULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831817, "molecule_chembl_id": "CHEMBL1083385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOPIDOGREL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831534", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831534, "molecule_chembl_id": "CHEMBL447347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ST-1859"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831536", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPIAZONIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831536, "molecule_chembl_id": "CHEMBL480627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.39", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOPIAZONIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836411", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACENOCOUMAROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836411, "molecule_chembl_id": "CHEMBL397420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.33", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "acenocoumarol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2854", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836413", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FADROZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836413, "molecule_chembl_id": "CHEMBL9298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fadrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C2CCCc3cncn32)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830893", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEKANAMYCIN SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830893, "molecule_chembl_id": "CHEMBL1237048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.60", "alogp": "-7.33", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BEKANAMYCIN SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831013", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPOXANTHINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831013, "molecule_chembl_id": "CHEMBL1427", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.11", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYPOXANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2nc[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831014", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAVARIXIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831014, "molecule_chembl_id": "CHEMBL216981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NAVARIXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835894", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DERACOXIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835894, "molecule_chembl_id": "CHEMBL28636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.38", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "deracoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1986", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831095", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831095, "molecule_chembl_id": "CHEMBL226345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.13", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ADENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2[nH]cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831477", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831477, "molecule_chembl_id": "CHEMBL472940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IPA-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827422", "_score": 6.4024553, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827422, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1300000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832914", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOSALAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832914, "molecule_chembl_id": "CHEMBL2104260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.24", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOSALAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE ACEPONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832628, "molecule_chembl_id": "CHEMBL1697782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.58", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLPREDNISOLONE-ACEPONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833023", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINEPAZET", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833023, "molecule_chembl_id": "CHEMBL2110784", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.45", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINEPAZET"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CN1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828342", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EQUILIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828342, "molecule_chembl_id": "CHEMBL323533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Equilin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.282", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836140", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836140, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "N-Acetyl-L-cysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2321", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836157", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836157, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1082", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836111", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHACHOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836111, "molecule_chembl_id": "CHEMBL978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.24", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methacholine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1317", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC(C)C[N+](C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831240", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SESAMIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831240, "molecule_chembl_id": "CHEMBL252915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.36", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SESAMIN (FAGAROL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831259", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLTHIOURACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831259, "molecule_chembl_id": "CHEMBL1518", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.24", "alogp": "1.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROPYLTHIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836355", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMESULIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836355, "molecule_chembl_id": "CHEMBL56367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.31", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nimesulide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.223", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838959", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838959, "molecule_chembl_id": "CHEMBL4109308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.90", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "218.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828274", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APREPITANT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828274, "molecule_chembl_id": "CHEMBL1471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.43", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Aprepitant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1334", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828375", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPIRTINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828375, "molecule_chembl_id": "CHEMBL255044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.32", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Flupirtine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1412", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832980", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMFLUTIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832980, "molecule_chembl_id": "CHEMBL2106558", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.25", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMFLUTIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835767", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "REGADENOSON", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835767, "molecule_chembl_id": "CHEMBL317052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.36", "alogp": "-2.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "regadenoson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.115", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829558", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEHYDROACETIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829558, "molecule_chembl_id": "CHEMBL284127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.15", "alogp": "0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROACETIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1C(=O)C=C(C)OC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834260", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834260, "molecule_chembl_id": "CHEMBL4166417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "596.68", "alogp": "6.99", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CHLOROPHYLLIN, CHLORIN E6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)O)C(CCC(=O)O)C3C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829099", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LABETALOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829099, "molecule_chembl_id": "CHEMBL1200323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.87", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LABETALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833326", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833326, "molecule_chembl_id": "CHEMBL3306873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.69", "alogp": "4.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INT-767"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCOS(=O)(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833339", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833339, "molecule_chembl_id": "CHEMBL3334990", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.15", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,3'-DICHLOROBENZALDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828640", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EXIFONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828640, "molecule_chembl_id": "CHEMBL329522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.22", "alogp": "1.15", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Exifone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9092", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832981", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOCITABINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832981, "molecule_chembl_id": "CHEMBL2106589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "565.80", "alogp": "5.62", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ENOCITABINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832745", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEOCALCITOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832745, "molecule_chembl_id": "CHEMBL1908376", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.70", "alogp": "6.43", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "SEOCALCITOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828396", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVETIRACETAM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828396, "molecule_chembl_id": "CHEMBL1286", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.21", "alogp": "-0.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levetiracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.008913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(N)=O)N1CCCC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828406", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYDROGESTERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828406, "molecule_chembl_id": "CHEMBL1200853", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.45", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dydrogesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828477", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828477, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Retinoic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.999", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829128", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829128, "molecule_chembl_id": "CHEMBL1255841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.79", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "R(+)-3-(3-HYDROXYPHENYL)-N-PROPYLPIPERIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@H](c2cccc(O)c2)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833993", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURSULTIAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833993, "molecule_chembl_id": "CHEMBL1740659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FURSULTIAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833914", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BQ-123", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833914, "molecule_chembl_id": "CHEMBL1269102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BQ-123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834572", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834572, "molecule_chembl_id": "CHEMBL4303329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.35", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JSH-23"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NCCCc2ccccc2)c(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835287", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPHENAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835287, "molecule_chembl_id": "CHEMBL726", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1224", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835015", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835015, "molecule_chembl_id": "CHEMBL1721359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Nitarsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01938", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc([As](=O)(O)O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830400", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830400, "molecule_chembl_id": "CHEMBL320642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.28", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S 18986"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)N[C@H]2CCCN2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833037", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833037, "molecule_chembl_id": "CHEMBL2111857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.31", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-52537"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831731", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Y-27632", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831731, "molecule_chembl_id": "CHEMBL559147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.34", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830229", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830229, "molecule_chembl_id": "CHEMBL81379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "5.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALL TRANS RETINAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830237", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOSOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830237, "molecule_chembl_id": "CHEMBL451260", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "243.24", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYQUINOLINE HEMISULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)O.Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838674", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ABBV-744", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838674, "molecule_chembl_id": "CHEMBL4297454", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "491.56", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "ABBV-744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.84", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835496", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROTHIXENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835496, "molecule_chembl_id": "CHEMBL908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.87", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "chlorprothixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.106", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828117", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIALAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828117, "molecule_chembl_id": "CHEMBL1256841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nialamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7026", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832710", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832710, "molecule_chembl_id": "CHEMBL1829305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "635.94", "alogp": "6.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC 0631"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827219", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.17", "bao_label": "organism-based format", "molecule_pref_name": "THIORIDAZINE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827219, "molecule_chembl_id": "CHEMBL479", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.59", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thioridazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6690.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838734", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838734, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "255.7", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828550", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828550, "molecule_chembl_id": "CHEMBL213907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.63", "alogp": "0.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Thiocolchicoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1277", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833255", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833255, "molecule_chembl_id": "CHEMBL3183531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK J4 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828628", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828628, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Epalrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.428", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830086", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIMORAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830086, "molecule_chembl_id": "CHEMBL435966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "0.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIMORAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cncn1CCN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829901", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLORETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829901, "molecule_chembl_id": "CHEMBL45068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHLORETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829112", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFADIAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829112, "molecule_chembl_id": "CHEMBL439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.28", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFADIAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828706", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIVAMPICILLIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828706, "molecule_chembl_id": "CHEMBL3182343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pivampicillin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3125", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833288", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833288, "molecule_chembl_id": "CHEMBL3222137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.53", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "T-5224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828587", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828587, "molecule_chembl_id": "CHEMBL1874407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alfadolone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.002", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833790", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPIROXICAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833790, "molecule_chembl_id": "CHEMBL1566249", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.47", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPIROXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833794", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833794, "molecule_chembl_id": "CHEMBL4303587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "TOCOFERSOLAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833701, "molecule_chembl_id": "CHEMBL312403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.72", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SACLOFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CS(=O)(=O)O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833705", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERASTIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833705, "molecule_chembl_id": "CHEMBL401989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.06", "alogp": "4.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ERASTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828580", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEMANTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828580, "molecule_chembl_id": "CHEMBL1699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Memantine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5095", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833368", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PILARALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833368, "molecule_chembl_id": "CHEMBL3360203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "541.03", "alogp": "4.51", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PILARALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834086", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834086, "molecule_chembl_id": "CHEMBL3039196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1131.27", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ESCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(CO)C(CC1(C)C)C1=CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833274", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINIMETINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833274, "molecule_chembl_id": "CHEMBL3187723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.23", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BINIMETINIB (MEK162, ARRY-162, ARRY-438162)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828579", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSUVASTATIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828579, "molecule_chembl_id": "CHEMBL1496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.55", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rosuvastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833932", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833932, "molecule_chembl_id": "CHEMBL4303145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.23", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEOXYARBUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(OC2CCCCO2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831906", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831906, "molecule_chembl_id": "CHEMBL1160508", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.16", "alogp": "-1.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-CYSTEINESULFINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CS(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838860", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Depositor Activity Comments:U-Shaped Response, Test At Lower Conc.? Curator Activity Comments: Potential Data Validity Issues", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.95", "bao_label": "organism-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838860, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11220.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838733", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "ACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838733, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "190.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827407", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303832", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827407, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307388", "assay_cell_type": "BSC-1", "assay_organism": "Chlorocebus aethiops", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of SARS spike protein-mediated cell fusion using BlaM pseudovirus assay system in BSC1 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827409", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": "Potential missing data", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303830", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827409, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831790", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831790, "molecule_chembl_id": "CHEMBL577673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.99", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOBETASONE-BUTYRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838892", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838892, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.44", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838739", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2c adrenergic receptor", "pchembl_value": "6.65", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303088", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1916", "activity_id": 18838739, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "223.87", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "1.55", "sei": "53.33", "bei": "19.34", "le": "0.38"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833200", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833200, "molecule_chembl_id": "CHEMBL2443044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.44", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NMS-E973"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828509", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828509, "molecule_chembl_id": "CHEMBL4303471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.54", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ketanserin tartrate hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828513", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPHOTERICIN B", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828513, "molecule_chembl_id": "CHEMBL267345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "924.09", "alogp": "0.71", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Amphotericin B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1025", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828521", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIORIDAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828521, "molecule_chembl_id": "CHEMBL1200916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.05", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Thioridazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833093", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833093, "molecule_chembl_id": "CHEMBL2180179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.19", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-BDBD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CN=C(c2cccc(Br)c2)c2oc3ccccc3c2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828547", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESORIDAZINE BESYLATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828547, "molecule_chembl_id": "CHEMBL1201052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.76", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesoridazine besylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3037", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828313", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITHYLDIONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828313, "molecule_chembl_id": "CHEMBL1722501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.21", "alogp": "1.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pyrithyldione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06624", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)C=CNC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833187", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833187, "molecule_chembl_id": "CHEMBL2425486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "686.70", "alogp": "-2.23", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SECOISOLARICIRESINOL DIGLUCOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830863", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXIBUPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830863, "molecule_chembl_id": "CHEMBL175", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXIBUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834835", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "KETOCONAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834835, "molecule_chembl_id": "CHEMBL157101", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "531.44", "alogp": "4.21", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "KETOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830015", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LICOFELONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830015, "molecule_chembl_id": "CHEMBL300982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LICOFELONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834717", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "14.15 \u00b1 10.05", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.85", "bao_label": "organism-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834717, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEFLOQUINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14150.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834430", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834430, "molecule_chembl_id": "CHEMBL4303627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROACIPIMOX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1c[n+]([O-])c(C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833305", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833305, "molecule_chembl_id": "CHEMBL3273984", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYPROGESTERONE-ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833575", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIMIRALISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833575, "molecule_chembl_id": "CHEMBL4084907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.39", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BIMIRALISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829962", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOXYVERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829962, "molecule_chembl_id": "CHEMBL1256940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.10", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(+/-)-METHOXYVERAPAMIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833627", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SQ109", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833627, "molecule_chembl_id": "CHEMBL561057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.56", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SQ109"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CNCCNC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828992", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.27", "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828992, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5390.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830312", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOPHENAZINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830312, "molecule_chembl_id": "CHEMBL2360079", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "643.72", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOPHENAZINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834020", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISADIMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834020, "molecule_chembl_id": "CHEMBL2106668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LISADIMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)OCC(O)CO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828654", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEBANAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828654, "molecule_chembl_id": "CHEMBL1909283", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mebanazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7135", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(NN)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GTS-21", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830587, "molecule_chembl_id": "CHEMBL134713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GTS21"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C2\\CCCN=C2c2cccnc2)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833383", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833383, "molecule_chembl_id": "CHEMBL3408248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.48", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD8186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828562", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORICONAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828562, "molecule_chembl_id": "CHEMBL638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.32", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VCZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.00006668", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828076", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRVINIUM PAMOATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828076, "molecule_chembl_id": "CHEMBL1908377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1151.42", "alogp": "5.31", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pyrvinium pamoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3469", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827966", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827966, "molecule_chembl_id": "CHEMBL4303355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.50", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Reboxetine mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832670", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832670, "molecule_chembl_id": "CHEMBL1743245", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.40", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH223191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833199", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833199, "molecule_chembl_id": "CHEMBL2442052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.51", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M8-B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828555", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOBARBITAL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828555, "molecule_chembl_id": "CHEMBL448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.28", "alogp": "1.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pentobarbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04199", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=O)NC1=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833322", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DALBAVANCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833322, "molecule_chembl_id": "CHEMBL3301669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1816.72", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "DALBAVANCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827795", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISOPROLOL FUMARATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827795, "molecule_chembl_id": "CHEMBL1472989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "766.97", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bisoprolol hemifumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833337", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833337, "molecule_chembl_id": "CHEMBL3334621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.53", "alogp": "7.04", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ETP-46464"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833237", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMBITASVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833237, "molecule_chembl_id": "CHEMBL3127326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "894.13", "alogp": "7.69", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "OMBITASVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828536", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFECOXIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828536, "molecule_chembl_id": "CHEMBL122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rofecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2636", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833241", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DASABUVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833241, "molecule_chembl_id": "CHEMBL3137312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.59", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DASABUVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833242", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALAZOPARIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833242, "molecule_chembl_id": "CHEMBL3137320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.36", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TALAZOPARIB (BMN 673)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827910", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPAFENONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827910, "molecule_chembl_id": "CHEMBL1201063", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.91", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propafenone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828467", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDAPAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828467, "molecule_chembl_id": "CHEMBL406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.84", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indapamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833176", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPELISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833176, "molecule_chembl_id": "CHEMBL2396661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPELISIB (BYL719)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833177", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDASANUTLIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833177, "molecule_chembl_id": "CHEMBL2402737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.49", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "IDASANUTLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833107", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833107, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832736", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832736, "molecule_chembl_id": "CHEMBL1892416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.28", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EBPC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830798", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830798, "molecule_chembl_id": "CHEMBL362223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.86", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-655240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838678", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APICIDIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838678, "molecule_chembl_id": "CHEMBL430060", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "623.80", "alogp": "3.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Apicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4733", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835506", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BELOTECAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835506, "molecule_chembl_id": "CHEMBL2111084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.51", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CKD 602"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3416", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830349", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUFEXAMAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830349, "molecule_chembl_id": "CHEMBL94394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUFEXAMAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(CC(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835462", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATALUREN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835462, "molecule_chembl_id": "CHEMBL256997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.25", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ataluren"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835060", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMOXINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835060, "molecule_chembl_id": "CHEMBL1198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.41", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pramoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1511", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(OCCCN2CCOCC2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831807", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831807, "molecule_chembl_id": "CHEMBL595092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.88", "alogp": "8.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM679"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OC[C@@H]5Cc6ccccc6N5C(C)=O)ccc43)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835507", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORELGESTROMIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835507, "molecule_chembl_id": "CHEMBL1200807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.47", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "norelgestromin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834421, "molecule_chembl_id": "CHEMBL4303432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.48", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YM-244769"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "60.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cccc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)cc3)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828593", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABACAVIR SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828593, "molecule_chembl_id": "CHEMBL4303288", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "670.76", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Abacavir sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830026", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830026, "molecule_chembl_id": "CHEMBL542620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.70", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GABAPENTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC1(CC(=O)O)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830280", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IODOQUINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830280, "molecule_chembl_id": "CHEMBL86754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.95", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IODOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830488", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830488, "molecule_chembl_id": "CHEMBL117649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.26", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HYDROXY-2,2,6,6-TETRAMETHYL-PIPERIDINOOXY,98%,FREE RADICAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(O)CC(C)(C)N1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835001", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPYRAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835001, "molecule_chembl_id": "CHEMBL1194287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.81", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chloropyramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.008614", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833379", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833379, "molecule_chembl_id": "CHEMBL3397300", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.03", "alogp": "5.40", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AP26113"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832436", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BINOSPIRONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832436, "molecule_chembl_id": "CHEMBL1487115", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.44", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-73005EF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832970", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMOPROLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832970, "molecule_chembl_id": "CHEMBL2106030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MOPROLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC[C@@H](O)CNC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828585", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOPENTHIAZIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828585, "molecule_chembl_id": "CHEMBL1373254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclopenthiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3417", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832559", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832559, "molecule_chembl_id": "CHEMBL1364808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIT TOSYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.O=C1C(c2ccccn2)=[N+]([O-])c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828323", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828323, "molecule_chembl_id": "CHEMBL4303378", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "564.44", "alogp": "-1.13", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Moxalactam disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5821", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)[C@H](C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833039", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833039, "molecule_chembl_id": "CHEMBL2134202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4708671"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "88.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cncnc1N1CCN(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828355", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOPAMIDOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828355, "molecule_chembl_id": "CHEMBL1200932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "777.09", "alogp": "-1.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Iopamidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833822", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833822, "molecule_chembl_id": "CHEMBL154668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.78", "alogp": "1.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-368899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833366", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833366, "molecule_chembl_id": "CHEMBL3356433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.53", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LX7101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833412", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XL-228", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833412, "molecule_chembl_id": "CHEMBL3545085", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.55", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "XL228"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833264", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833264, "molecule_chembl_id": "CHEMBL3186037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.47", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHS-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CNc1ccnc(NCc2csc(-c3ccccc3)n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828728", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DORZOLAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828728, "molecule_chembl_id": "CHEMBL1201162", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.91", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dorzolamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3332", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835092", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835092, "molecule_chembl_id": "CHEMBL27577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salicylamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3054", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830399", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "D-HISTIDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830399, "molecule_chembl_id": "CHEMBL104875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.16", "alogp": "-0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-HISTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833354", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVN-944", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833354, "molecule_chembl_id": "CHEMBL3349001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVN-944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833439", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833439, "molecule_chembl_id": "CHEMBL3581764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.30", "alogp": "3.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "O4I1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(CC#N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828424", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXETHAZAINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828424, "molecule_chembl_id": "CHEMBL127592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.65", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Oxethazaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833104", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGLABIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833104, "molecule_chembl_id": "CHEMBL2206431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARGLABIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828402", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALCINONIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828402, "molecule_chembl_id": "CHEMBL1200845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "454.97", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Halcinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01779", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828461", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALBUTEROL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828461, "molecule_chembl_id": "CHEMBL714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salbutamol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0995", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833169", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASELISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833169, "molecule_chembl_id": "CHEMBL2387080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.54", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TASELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832662", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832662, "molecule_chembl_id": "CHEMBL1742126", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.74", "alogp": "1.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORMEZANONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)CCS(=O)(=O)[C@@H]1c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827958", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENTACAPONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827958, "molecule_chembl_id": "CHEMBL953", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.29", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Entacapone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01589", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833205", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUVELISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833205, "molecule_chembl_id": "CHEMBL3039502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DUVELISIB (IPI-145, INK1197)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827210", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.43", "bao_label": "organism-based format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827210, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oxyclozanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3710.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828542", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOHEXOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828542, "molecule_chembl_id": "CHEMBL1200455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "821.14", "alogp": "-1.63", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Iohexol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2359", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831946", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831946, "molecule_chembl_id": "CHEMBL1190161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "583.60", "alogp": "4.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "T-0156"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828554", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIRITHROMYCIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828554, "molecule_chembl_id": "CHEMBL1237072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "835.09", "alogp": "2.20", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dirithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.105", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828277", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAZOSIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828277, "molecule_chembl_id": "CHEMBL1256665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.90", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Terazosin hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01131", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828376", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINACALCET HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828376, "molecule_chembl_id": "CHEMBL1200776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.88", "alogp": "6.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cinacalcet hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1481", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828619", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPERONYL BUTOXIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828619, "molecule_chembl_id": "CHEMBL1201131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "338.44", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Piperonyl butoxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833332", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833332, "molecule_chembl_id": "CHEMBL3326251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.13", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2025 (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833345", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833345, "molecule_chembl_id": "CHEMBL3338865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.52", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-3697"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828397", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETORICOXIB", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828397, "molecule_chembl_id": "CHEMBL416146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.85", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Etoricoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1588", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827976", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLIOQUINOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827976, "molecule_chembl_id": "CHEMBL497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.50", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clioquinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833141", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833141, "molecule_chembl_id": "CHEMBL2337806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.89", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AS-1949490"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828384", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828384, "molecule_chembl_id": "CHEMBL4303388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.01", "alogp": "-1.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefozopran hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832782", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832782, "molecule_chembl_id": "CHEMBL1970071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.45", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-5541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828338", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIPRILOSE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828338, "molecule_chembl_id": "CHEMBL1256946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.83", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amiprilose hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4525", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCO[C@H]1[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@H]12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827930", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUSAL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827930, "molecule_chembl_id": "CHEMBL1332032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.16", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triflusal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02498", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147335", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147335, "molecule_chembl_id": "CHEMBL4303431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.72", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "benzofenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147179", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOXAZOLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147179, "molecule_chembl_id": "CHEMBL472566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "168.58", "alogp": "2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZOXAZOLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2cc(Cl)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152024", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DYCLONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152024, "molecule_chembl_id": "CHEMBL1201217", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.42", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DYCLONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151841", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FASUDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151841, "molecule_chembl_id": "CHEMBL38380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.38", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FASUDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151691", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151691, "molecule_chembl_id": "CHEMBL2111857", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.31", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-52537"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151501, "molecule_chembl_id": "CHEMBL2172076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHEMBL2172076"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147017", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147017, "molecule_chembl_id": "CHEMBL67601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151687", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROPAPAVERINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151687, "molecule_chembl_id": "CHEMBL160919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetrahydropapaverine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145708", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPREOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145708, "molecule_chembl_id": "CHEMBL2218913", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1517.59", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Capreomycin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145783", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145783, "molecule_chembl_id": "CHEMBL2164371", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAV-26"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(OC(F)(F)F)cc1)C1c2ccccc2C(=O)N1C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149269", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149269, "molecule_chembl_id": "CHEMBL335231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "116.12", "alogp": "-1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HA-966-(R)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCN(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151376", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAFFEIC ACID PHENETHYL ESTER", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151376, "molecule_chembl_id": "CHEMBL319244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "caffeic-acid-phenethyl-ester"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMOVANILLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151638, "molecule_chembl_id": "CHEMBL1562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "182.18", "alogp": "1.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMOVANILLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CC(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145784", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145784, "molecule_chembl_id": "CHEMBL496594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.47", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145848", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145848, "molecule_chembl_id": "CHEMBL1233897", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.37", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HPGDS inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(F)c2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146705", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENALAPRILAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146705, "molecule_chembl_id": "CHEMBL577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.40", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ENALAPRILAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151211, "molecule_chembl_id": "CHEMBL3039447", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.58", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMETHAZONE PIVALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146788", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISATORIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146788, "molecule_chembl_id": "CHEMBL2105116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.30", "alogp": "-2.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Amino-3-D-ribofuranosylthiazolo[4;5-d]pyrimidin-2;7(3H;6H)-dione; 7-Thia-8-oxoguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146723", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146723, "molecule_chembl_id": "CHEMBL3408248", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.48", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD8186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146799", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146799, "molecule_chembl_id": "CHEMBL4303269", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.86", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPR120 modulator 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151771", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHAMIVAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151771, "molecule_chembl_id": "CHEMBL1229908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.27", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHAMIVAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)c1ccc(O)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961106", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961106, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146714", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXIGLUMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146714, "molecule_chembl_id": "CHEMBL206025", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.39", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dexloxiglumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146896", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELPERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146896, "molecule_chembl_id": "CHEMBL1531134", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.36", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "melperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146899", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELIPRODIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146899, "molecule_chembl_id": "CHEMBL28564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ELIPRODIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151234", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151234, "molecule_chembl_id": "CHEMBL1086580", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.32", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XAV-939"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151472", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMANTADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151472, "molecule_chembl_id": "CHEMBL959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.31", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIMANTADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153527", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153527, "molecule_chembl_id": "CHEMBL134074", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "5.05", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RS 504393"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148926", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTICOSTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148926, "molecule_chembl_id": "CHEMBL110739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "corticosterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153433", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-ETHYL-10-HYDROXYCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153433, "molecule_chembl_id": "CHEMBL837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.41", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SN-38"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153534", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153534, "molecule_chembl_id": "CHEMBL505670", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.26", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC228155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152518", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXIDOPAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152518, "molecule_chembl_id": "CHEMBL451197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.64", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXIDOPAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1cc(O)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148172", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148172, "molecule_chembl_id": "CHEMBL234432", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.17", "alogp": "-3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLUCOSAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153488", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-345541", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153488, "molecule_chembl_id": "CHEMBL249697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.32", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-345541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148989", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXSUPRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148989, "molecule_chembl_id": "CHEMBL559180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.85", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOXSUPRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150207", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150207, "molecule_chembl_id": "CHEMBL181276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "856.89", "alogp": "-8.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DAPTA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150084", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPRAGLURANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150084, "molecule_chembl_id": "CHEMBL2346738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.29", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Dipraglurant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153545", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANOBINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153545, "molecule_chembl_id": "CHEMBL483254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Panobinostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831749", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAC-1", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831749, "molecule_chembl_id": "CHEMBL591429", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PAC-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836070", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LENVATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836070, "molecule_chembl_id": "CHEMBL1289601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.86", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lenvatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3778", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836071", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETERMOVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836071, "molecule_chembl_id": "CHEMBL1241951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.56", "alogp": "5.71", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Letermovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831040", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBENZOTHIOPHENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831040, "molecule_chembl_id": "CHEMBL219828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.26", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIBENZOTHIOPHENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)sc1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831235", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831235, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002589945"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830988", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830988, "molecule_chembl_id": "CHEMBL213907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.63", "alogp": "0.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "THIOCOLCHICOSIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836037", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIROXOSTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836037, "molecule_chembl_id": "CHEMBL1078685", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.25", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Topiroxostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01483", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831170", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIOXSALEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831170, "molecule_chembl_id": "CHEMBL1475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIOXSALEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838679", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APICIDIN", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838679, "molecule_chembl_id": "CHEMBL430060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.80", "alogp": "3.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Apicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "379.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838768", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838768, "molecule_chembl_id": "CHEMBL4125931", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.82", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-0610"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "249.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(N)=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831821", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831821, "molecule_chembl_id": "CHEMBL598952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "187.16", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ODQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1onc2cnc3ccccc3n12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835956", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835956, "molecule_chembl_id": "CHEMBL1997663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.54", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ethacizin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2302", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831139", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WARFARIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831139, "molecule_chembl_id": "CHEMBL1464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.33", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "WARFARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-35.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836012", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOCOLCHICOSIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836012, "molecule_chembl_id": "CHEMBL1705373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.63", "alogp": "0.76", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Thiocolchicoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1984", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831145", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831145, "molecule_chembl_id": "CHEMBL393929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.46", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-3306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830993", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRALIDOXIME MESYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830993, "molecule_chembl_id": "CHEMBL2104739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.26", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRALIDOXIME MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)[O-].C[n+]1ccccc1C=NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835875", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOBENZAPRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835875, "molecule_chembl_id": "CHEMBL669", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.40", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclobenzaprine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.007076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHIONAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831069, "molecule_chembl_id": "CHEMBL1441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.25", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002554899"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835944", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835944, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Epalrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05307", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835884", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPSONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835884, "molecule_chembl_id": "CHEMBL1043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapsone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2677", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835394", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CALCIPOTRIENE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835394, "molecule_chembl_id": "CHEMBL1200666", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.61", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Calcipotriene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830699", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTAZOLINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830699, "molecule_chembl_id": "CHEMBL1200550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.35", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANTAZOLINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835424", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACEXAMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835424, "molecule_chembl_id": "CHEMBL2105922", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acexamic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCCCC(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149714", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149714, "molecule_chembl_id": "CHEMBL3633720", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.79", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-63533054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148996", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148996, "molecule_chembl_id": "CHEMBL47850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.37", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1553A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1CCSc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153254", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOMELOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153254, "molecule_chembl_id": "CHEMBL1078178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.47", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "MOMELOTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148869", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148869, "molecule_chembl_id": "CHEMBL1256672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.36", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CV-1808"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147243", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KAEMPFEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147243, "molecule_chembl_id": "CHEMBL150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kaempferol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146814", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MERICITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146814, "molecule_chembl_id": "CHEMBL562967", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.42", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mericitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147960", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOYL PEROXIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147960, "molecule_chembl_id": "CHEMBL1200370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.23", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZOYL PEROXIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146913", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARICOTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146913, "molecule_chembl_id": "CHEMBL2000716", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.19", "alogp": "-0.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "caricotamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1C=CCC(C(N)=O)=C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147165", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFN-1252", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147165, "molecule_chembl_id": "CHEMBL1652621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFN-1252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146813", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FERULATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146813, "molecule_chembl_id": "CHEMBL32749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.19", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ferulic_acid (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149814", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOCLOPRAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149814, "molecule_chembl_id": "CHEMBL1200940", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.28", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOCLOPRAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959145", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BINOSPIRONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959145, "molecule_chembl_id": "CHEMBL1487115", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.44", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-73005EF"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152558", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152558, "molecule_chembl_id": "CHEMBL1793884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.42", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phortress"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H](N)CCCCN.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMBITASVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151428, "molecule_chembl_id": "CHEMBL3127326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "894.13", "alogp": "7.69", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ombitasvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149115", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELATONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149115, "molecule_chembl_id": "CHEMBL45", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MELATONIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963874", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTYLATED HYDROXYANISOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963874, "molecule_chembl_id": "CHEMBL192451", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.25", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTYLATED HYDROXYANISOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963712", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRENZEPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963712, "molecule_chembl_id": "CHEMBL1531864", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.33", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIRENZEPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153739", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ICOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153739, "molecule_chembl_id": "CHEMBL2087361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.43", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Icotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959886", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959886, "molecule_chembl_id": "CHEMBL513147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN193189 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.524", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149191", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149191, "molecule_chembl_id": "CHEMBL237500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LINAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149725", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALIMETINIB MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149725, "molecule_chembl_id": "CHEMBL2364627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.75", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LY2228820"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153201, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Evacetrapib (LY2484595)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149788", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENELZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149788, "molecule_chembl_id": "CHEMBL1089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "0.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PHENELZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149845", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPOTIAZINE PALMITATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149845, "molecule_chembl_id": "CHEMBL2106439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "714.09", "alogp": "10.06", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "pipotiazine-palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151371", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXPRAMIPEXOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151371, "molecule_chembl_id": "CHEMBL249420", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "(+)-R-Pramipexole dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@@H]1CCc2nc(N)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154038", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154038, "molecule_chembl_id": "CHEMBL1057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "332.31", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149540", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOLINANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149540, "molecule_chembl_id": "CHEMBL74355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.47", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "volinanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149728", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149728, "molecule_chembl_id": "CHEMBL4303226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.48", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CVT-10216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)Nc1ccc(-c2coc3cc(OCc4cccc(C(=O)O)c4)ccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147054", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCOPOLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147054, "molecule_chembl_id": "CHEMBL569713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.36", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "scopolamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960132, "molecule_chembl_id": "CHEMBL4303661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.82", "alogp": "9.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC1NDSS5"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCC[S+](CCC)c1ccccc1C(=O)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153336", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMETREXED", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153336, "molecule_chembl_id": "CHEMBL225072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pemetrexed"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153613", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153613, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI-2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963708", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963708, "molecule_chembl_id": "CHEMBL1412853", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "287.34", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML130"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146773", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAPINAROF", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146773, "molecule_chembl_id": "CHEMBL259571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.33", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "tapinarof"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146951", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMEGEPANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146951, "molecule_chembl_id": "CHEMBL2178422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "4.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Rimegepant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151269", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-EFLORNITHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151269, "molecule_chembl_id": "CHEMBL536971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.63", "alogp": "-0.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Eflornithine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCCC(N)(C(=O)O)C(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147672", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147672, "molecule_chembl_id": "CHEMBL165084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.27", "alogp": "-3.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Aceneuramic_acid sodium salt\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151322", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151322, "molecule_chembl_id": "CHEMBL3672841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.82", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EPZ011989"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147423", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147423, "molecule_chembl_id": "CHEMBL4522930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.52", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI605906"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(F)(F)c1cc(N2CCC(S(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149825", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149825, "molecule_chembl_id": "CHEMBL2397093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.95", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CIQ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963160", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963160, "molecule_chembl_id": "CHEMBL2419490", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.55", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154010", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154010, "molecule_chembl_id": "CHEMBL180672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.93", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPS-2143 (SB262470)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964028", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964028, "molecule_chembl_id": "CHEMBL2047811", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.39", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.707", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147048", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147048, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CANDESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149576", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149576, "molecule_chembl_id": "CHEMBL188166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.39", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-732;138"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RHEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149628, "molecule_chembl_id": "CHEMBL418068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rheic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153287", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153287, "molecule_chembl_id": "CHEMBL3891221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.79", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06409577"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150166", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150166, "molecule_chembl_id": "CHEMBL317229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.45", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CO-101244"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150167", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIPIZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150167, "molecule_chembl_id": "CHEMBL1073", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.55", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002564210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960462", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960462, "molecule_chembl_id": "CHEMBL540612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.01", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BP-897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.585", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964064", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLORSULON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964064, "molecule_chembl_id": "CHEMBL1474129", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clorsulon"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960762", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PARAXANTHINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960762, "molecule_chembl_id": "CHEMBL1158", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Paraxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7948", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)[nH]c2ncn(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963724", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEOXYMANNOJIRIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963724, "molecule_chembl_id": "CHEMBL84844", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.17", "alogp": "-2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-deoxymannojirimycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145965", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFLUMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145965, "molecule_chembl_id": "CHEMBL63323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.22", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFLUMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964230", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.50", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964230, "molecule_chembl_id": "CHEMBL566136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.35", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121351"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3190.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(N)sc(-c2ccccc2)c1C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152257", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152257, "molecule_chembl_id": "CHEMBL396416", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.20", "alogp": "-0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carbocysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152274", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152274, "molecule_chembl_id": "CHEMBL1464225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.42", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119478"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963743", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOPHANATE METHYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963743, "molecule_chembl_id": "CHEMBL487187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "342.40", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOPHANATE METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959140", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MECLIZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959140, "molecule_chembl_id": "CHEMBL1200590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.43", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MECLIZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148063", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFALONIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148063, "molecule_chembl_id": "CHEMBL2105567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.52", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFALONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154338", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.92", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154338, "molecule_chembl_id": "CHEMBL1829304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.91", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0646"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12030.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154525", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AVN-944", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154525, "molecule_chembl_id": "CHEMBL3349001", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AVN-944"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150332", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150332, "molecule_chembl_id": "CHEMBL3185326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "94.05", "alogp": "0.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sodium acrylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(-)-EPICATECHIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151421, "molecule_chembl_id": "CHEMBL583912", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.27", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(-)-EPICATECHIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154104", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154104, "molecule_chembl_id": "CHEMBL4532565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.50", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STROPHANTHIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151680", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151680, "molecule_chembl_id": "CHEMBL1256321", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.14", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(3-Chlorophenyl)piperazine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(N2CCNCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152108", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMILORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152108, "molecule_chembl_id": "CHEMBL945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.63", "alogp": "-1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMILORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NC(=O)c1nc(Cl)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962865", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962865, "molecule_chembl_id": "CHEMBL4303372", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "phenylacetylglutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146067", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALETHAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146067, "molecule_chembl_id": "CHEMBL2111176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.47", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "valethamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153246", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153246, "molecule_chembl_id": "CHEMBL2159498", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.32", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "P22077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964472", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964472, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "silver-sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154108", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABIVERTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154108, "molecule_chembl_id": "CHEMBL4297865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "487.54", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Avitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959876", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PERZINFOTEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959876, "molecule_chembl_id": "CHEMBL452461", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.19", "alogp": "-0.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "perzinfotel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2c(c1=O)N(CCP(=O)(O)O)CCCN2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959456", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959456, "molecule_chembl_id": "CHEMBL1256776", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS1845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.667", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150621", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150621, "molecule_chembl_id": "CHEMBL1684242", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.33", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0360172"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959247", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIBENOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959247, "molecule_chembl_id": "CHEMBL3301681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.59", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tribenoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.076", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154316", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154316, "molecule_chembl_id": "CHEMBL4303221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.55", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "StemRegenin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146351", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146351, "molecule_chembl_id": "CHEMBL93215", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.04", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC95682"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Br)c(C=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958628, "molecule_chembl_id": "CHEMBL4303350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Ethyl (-)-Thiazolidine-3;4-dicarboxylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964374", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.64", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964374, "molecule_chembl_id": "CHEMBL4303622", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.29", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PR-619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2300.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "N#CSc1cc(SC#N)c(N)nc1N", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959769", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959769, "molecule_chembl_id": "CHEMBL195789", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-9810"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.527", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959947", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOFEMIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959947, "molecule_chembl_id": "CHEMBL2111114", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "192.65", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "lofemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963237", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALTIRATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963237, "molecule_chembl_id": "CHEMBL3545365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.47", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Altiratinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.912", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152121", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152121, "molecule_chembl_id": "CHEMBL518800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.54", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CR8-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153164", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SERTRALINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153164, "molecule_chembl_id": "CHEMBL1709", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.70", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SERTRALINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150560", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HISTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150560, "molecule_chembl_id": "CHEMBL90", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "111.15", "alogp": "-0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Histamine dihydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960729", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960729, "molecule_chembl_id": "CHEMBL1255588", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.53", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-Butaclamol_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960014", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2-IMINOBIOTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960014, "molecule_chembl_id": "CHEMBL1233598", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.33", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-Iminobiotin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962853", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962853, "molecule_chembl_id": "CHEMBL4060831", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.45", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPZ015666"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963669", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENURESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963669, "molecule_chembl_id": "CHEMBL2105796", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.63", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENURESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.349", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CNC(=O)c1ccc(Cl)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147167", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147167, "molecule_chembl_id": "CHEMBL1334465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.38", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-408124"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959840", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959840, "molecule_chembl_id": "CHEMBL120735", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.30", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-452533"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALABOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146622, "molecule_chembl_id": "CHEMBL67279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.07", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "TALABOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963671", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUCAPARIB PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963671, "molecule_chembl_id": "CHEMBL2105733", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.37", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Rucaparib (AG-014699;PF-01367338) phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151970", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151970, "molecule_chembl_id": "CHEMBL4303500", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BI-847325"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(CN(C)C)cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANDUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963701, "molecule_chembl_id": "CHEMBL124660", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tandutinib (MLN518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150264", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150264, "molecule_chembl_id": "CHEMBL1402866", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.29", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-26763"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959703", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959703, "molecule_chembl_id": "CHEMBL65892", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG14361"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.653", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959128", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959128, "molecule_chembl_id": "CHEMBL4303299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DESOXYMETASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964281", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.24", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964281, "molecule_chembl_id": "CHEMBL596674", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.46", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZM-39923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "580.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958545", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZAPRINAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958545, "molecule_chembl_id": "CHEMBL28079", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "271.28", "alogp": "1.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZAPRINAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959948", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959948, "molecule_chembl_id": "CHEMBL1708510", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.44", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-2745687"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963672", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IPRONIAZID PHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963672, "molecule_chembl_id": "CHEMBL1256361", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.22", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPRONIAZID PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153178", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "9-AMINOCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153178, "molecule_chembl_id": "CHEMBL274070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.37", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "9-Aminocamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964184", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAMABROM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964184, "molecule_chembl_id": "CHEMBL2104825", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.20", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAMABROM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)CO.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958224", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APROFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958224, "molecule_chembl_id": "CHEMBL26505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.45", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APROFENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964262", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.62", "bao_label": "assay format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964262, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "240.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147767", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147767, "molecule_chembl_id": "CHEMBL4303193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-670596"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(Cn2c3c(c4cc(F)cc(F)c42)CCCC3CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145692", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145692, "molecule_chembl_id": "CHEMBL3356143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149789", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1400W", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149789, "molecule_chembl_id": "CHEMBL107251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.25", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1400W"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCc1cccc(CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154300", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.93", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154300, "molecule_chembl_id": "CHEMBL1081312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.37", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PP121"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11760.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149272", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARITAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149272, "molecule_chembl_id": "CHEMBL3391662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.89", "alogp": "3.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Paritaprevir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153778", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VELIPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153778, "molecule_chembl_id": "CHEMBL506871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.30", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VELIPARIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956050", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIGITOXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956050, "molecule_chembl_id": "CHEMBL254219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "764.95", "alogp": "3.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Digitoxin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960945", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960945, "molecule_chembl_id": "CHEMBL269671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTEMISININ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.514", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960033", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960033, "molecule_chembl_id": "CHEMBL559569", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.41", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-612111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CENERIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956211, "molecule_chembl_id": "CHEMBL4297505", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.54", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cenerimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960986", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960986, "molecule_chembl_id": "CHEMBL4087968", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.42", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chidamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955807", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955807, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Dactolisib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955644", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SIVIFENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955644, "molecule_chembl_id": "CHEMBL307697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.34", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sivifene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956058", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERTACONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956058, "molecule_chembl_id": "CHEMBL1201196", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.78", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sertaconazole nitrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960946", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOPIDOGREL BISULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960946, "molecule_chembl_id": "CHEMBL1083385", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "419.91", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOPIDOGREL SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.091", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960921", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960921, "molecule_chembl_id": "CHEMBL3785909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "463.47", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMG-337"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.269", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960844", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GANDOTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960844, "molecule_chembl_id": "CHEMBL2107823", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "469.95", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Gandotinib (LY2784544)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-17.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956152", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956152, "molecule_chembl_id": "CHEMBL3897393", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.48", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2[C@H]2CCOC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956190", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956190, "molecule_chembl_id": "CHEMBL2204239", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.48", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML281"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960740", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "T091317", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960740, "molecule_chembl_id": "CHEMBL62136", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.34", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "T-0901317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960590", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960590, "molecule_chembl_id": "CHEMBL566099", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.35", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-2210"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964038", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPADENOSON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964038, "molecule_chembl_id": "CHEMBL3235279", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "520.04", "alogp": "5.51", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Capadenoson"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.083", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960909", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZOMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960909, "molecule_chembl_id": "CHEMBL433637", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "113.08", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azomycin (2-Nitroimidazole)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961087", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IB-MECA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961087, "molecule_chembl_id": "CHEMBL119709", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "510.29", "alogp": "0.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IB-MECA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152148", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TASISULAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152148, "molecule_chembl_id": "CHEMBL2110587", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.12", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tasisulam (LY573636)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960602", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960602, "molecule_chembl_id": "CHEMBL328710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.33", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-4312"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955832", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ENZALUTAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955832, "molecule_chembl_id": "CHEMBL1082407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.44", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enzalutamide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960102", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960102, "molecule_chembl_id": "CHEMBL1394135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.37", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "m-3M3FBS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151443", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYQUINOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151443, "molecule_chembl_id": "CHEMBL310555", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961247", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961247, "molecule_chembl_id": "CHEMBL401930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.97", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS-536924"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-98.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146434", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146434, "molecule_chembl_id": "CHEMBL106322", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "130.22", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "aminomethyltransferase"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCN=C(N)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956044", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956044, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Dapivirine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145632", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOSIMENDAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145632, "molecule_chembl_id": "CHEMBL2051955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.29", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LEVOSIMENDAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960654", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960654, "molecule_chembl_id": "CHEMBL1201039", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "431.95", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BENZTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.935", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960113", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHANTHELINE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960113, "molecule_chembl_id": "CHEMBL1200988", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.35", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methantheline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.449", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960127", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYL NICOTINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960127, "molecule_chembl_id": "CHEMBL379845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.14", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methyl-nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152620", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NESBUVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152620, "molecule_chembl_id": "CHEMBL1092581", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.50", "alogp": "3.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nesbuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151017", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151017, "molecule_chembl_id": "CHEMBL4303528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "727.80", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "RG7112 (RO5045337)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961438", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GANETESPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961438, "molecule_chembl_id": "CHEMBL2103879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ganetespib (STA-9090)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150741", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150741, "molecule_chembl_id": "CHEMBL1522313", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.48", "alogp": "3.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 5959"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959008", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959008, "molecule_chembl_id": "CHEMBL1201010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.49", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FLUDROCORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960845", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOMELATONIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960845, "molecule_chembl_id": "CHEMBL289233", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.18", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-iodomelatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960711", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960711, "molecule_chembl_id": "CHEMBL4303687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Omberacetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963055", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LESINURAD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963055, "molecule_chembl_id": "CHEMBL2105720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "404.29", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lesinurad"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960818", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-ALANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960818, "molecule_chembl_id": "CHEMBL279597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-alanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.399", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956408", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956408, "molecule_chembl_id": "CHEMBL4570175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "397.30", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-7975A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISPHENOL A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958211, "molecule_chembl_id": "CHEMBL418971", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISPHENOL A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963185", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DETOMIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963185, "molecule_chembl_id": "CHEMBL2106210", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.72", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Detomidine HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4799", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Cc2c[nH]cn2)c1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145621", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145621, "molecule_chembl_id": "CHEMBL297800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.17", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoleucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962975", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URAPIDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962975, "molecule_chembl_id": "CHEMBL1256716", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.95", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "URAPIDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962979", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TACALCITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962979, "molecule_chembl_id": "CHEMBL2105611", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.65", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tacalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.169", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958388", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOMIDIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958388, "molecule_chembl_id": "CHEMBL48166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.41", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147283", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147283, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-METHOXYESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147117", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147117, "molecule_chembl_id": "CHEMBL4303439", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.49", "alogp": "5.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tetradecyl Nicotinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCOC(=O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147527", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147527, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Riboflavin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961168", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GENTIOPICROSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961168, "molecule_chembl_id": "CHEMBL508320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.33", "alogp": "-1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gentiopicrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.468", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959363", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXIFLURIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959363, "molecule_chembl_id": "CHEMBL1130", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.19", "alogp": "-1.69", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DOXIFLURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150651", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150651, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "INDOMETHACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964371", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964371, "molecule_chembl_id": "CHEMBL4303312", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.80", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "riodoxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c(O)c1I", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961000", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MESALAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961000, "molecule_chembl_id": "CHEMBL704", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesalamine (Lialda)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.437", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961635", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961635, "molecule_chembl_id": "CHEMBL4303241", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "559.62", "alogp": "5.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Empesertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961216", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLOFARABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961216, "molecule_chembl_id": "CHEMBL1750", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.68", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clofarabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145572", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FINASTERIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145572, "molecule_chembl_id": "CHEMBL710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.55", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "finasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956448", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIMETHOPRIM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956448, "molecule_chembl_id": "CHEMBL22", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MMV000028"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956449", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANAVANINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956449, "molecule_chembl_id": "CHEMBL443732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "-2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Canavanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=NOCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956450", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956450, "molecule_chembl_id": "CHEMBL38686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF89976A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956613", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956613, "molecule_chembl_id": "CHEMBL471225", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "473.49", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC117079"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(N)(=O)=O)c2)c2c1C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961399", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961399, "molecule_chembl_id": "CHEMBL4303186", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "522.57", "alogp": "-1.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefoselis sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3ccc(=N)n3CCO)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150982", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BERGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150982, "molecule_chembl_id": "CHEMBL273019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.27", "alogp": "-1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BERGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147493", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMENTOFLAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147493, "molecule_chembl_id": "CHEMBL63354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "538.46", "alogp": "5.13", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "AMENTOFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963823", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DOXORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963823, "molecule_chembl_id": "CHEMBL359744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "579.99", "alogp": "0.00", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "doxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961462", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUIFLAPON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961462, "molecule_chembl_id": "CHEMBL16596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "587.19", "alogp": "9.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MK591 (free_acid)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959789", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959789, "molecule_chembl_id": "CHEMBL1515091", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "663.79", "alogp": "4.82", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BQ-788 (sodium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147557", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147557, "molecule_chembl_id": "CHEMBL485946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.17", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "4-(n-nonyl) Benzeneboronic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCc1ccc(B(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959195", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959195, "molecule_chembl_id": "CHEMBL67934", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "288.43", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TESTOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.538", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151978", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151978, "molecule_chembl_id": "CHEMBL3586462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.50", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nampt-IN-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CS(=O)(=O)Nc1ccc2c(c1)CCN(C(=O)COc1cccnc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150869", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOCICEPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150869, "molecule_chembl_id": "CHEMBL396460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1809.07", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "orphanin-fq; NOCICEPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963816", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963816, "molecule_chembl_id": "CHEMBL24909", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-[1-(4-piperonyl)piperazinyl]benzothiazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147486", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZOYLPAS", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147486, "molecule_chembl_id": "CHEMBL1487804", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOYLPAS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147491", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVOCERANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147491, "molecule_chembl_id": "CHEMBL3186534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964236", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.34", "bao_label": "assay format", "molecule_pref_name": "PURPUROGALLIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964236, "molecule_chembl_id": "CHEMBL66953", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "220.18", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PURPUROGALLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4580.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)cccc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151952", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151952, "molecule_chembl_id": "CHEMBL4303630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "560.64", "alogp": "2.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Geldanamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C/C=C(\\C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147447", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMODIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147447, "molecule_chembl_id": "CHEMBL289277", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Emodin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960227", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANDROSTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960227, "molecule_chembl_id": "CHEMBL87285", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "androsterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.304", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151416", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151416, "molecule_chembl_id": "CHEMBL3039507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.95", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOTAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964397", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964397, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "silver-sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149172", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERLIPRESSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149172, "molecule_chembl_id": "CHEMBL2135460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1227.39", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "terlipressin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149677", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLDOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149677, "molecule_chembl_id": "CHEMBL459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.22", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154328", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154328, "molecule_chembl_id": "CHEMBL1241674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.35", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Torkinib (PP242)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958920", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Sennoside A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958920, "molecule_chembl_id": "CHEMBL2368547", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "862.75", "alogp": "-1.10", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SENNOSIDE A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963551", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOBETIROME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963551, "molecule_chembl_id": "CHEMBL107400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "sobetirome"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.819", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145733", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTOXIFYLLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145733, "molecule_chembl_id": "CHEMBL628", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "278.31", "alogp": "0.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTOXIFYLLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956181", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956181, "molecule_chembl_id": "CHEMBL1970071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.45", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM 5541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962950", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANS-ASARONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962950, "molecule_chembl_id": "CHEMBL333306", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "208.26", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alpha-Asarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/c1cc(OC)c(OC)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962958", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962958, "molecule_chembl_id": "CHEMBL4303655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.37", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APcK-110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.681", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)cc(-c2ccc3c(-c4ccc(F)cc4)n[nH]c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150384", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW843682X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150384, "molecule_chembl_id": "CHEMBL514499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-843682X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145988", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMETHASONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145988, "molecule_chembl_id": "CHEMBL1201392", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUMETHASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145528", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145528, "molecule_chembl_id": "CHEMBL59030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.06", "alogp": "8.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145749", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-365260", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145749, "molecule_chembl_id": "CHEMBL9387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-365260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961647", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACEFYLLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961647, "molecule_chembl_id": "CHEMBL70246", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "-1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "acefylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964026", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964026, "molecule_chembl_id": "CHEMBL1628669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.19", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-213613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146307", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GARENOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146307, "molecule_chembl_id": "CHEMBL3183451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.54", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Garenoxacin (Mesylate hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959009", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959009, "molecule_chembl_id": "CHEMBL1966403", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.75", "alogp": "2.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "rosamicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.912", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)/C=C/C2(C)OC2C1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963082", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963082, "molecule_chembl_id": "CHEMBL2367465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.12", "alogp": "-1.27", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ALENDRONATE SODIUM TRIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.O.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145935", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPSAZEPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145935, "molecule_chembl_id": "CHEMBL391997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.91", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "capsazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958963", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "S-ROLIPRAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958963, "molecule_chembl_id": "CHEMBL325795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROLIPRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958966", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958966, "molecule_chembl_id": "CHEMBL1435687", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "398.68", "alogp": "7.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "dihydrotachysterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.831", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(O)C/C1=C\\C=C1/CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150806", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150806, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOPIRAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963489", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRYPTOPHAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963489, "molecule_chembl_id": "CHEMBL54976", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRYPTOPHAN (L)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958781", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEROPENEM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958781, "molecule_chembl_id": "CHEMBL127", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEROPENEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.064", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958787", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958787, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZOBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958790", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958790, "molecule_chembl_id": "CHEMBL343732", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.21", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAX-channel-blocker"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154295", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.10", "bao_label": "organism-based format", "molecule_pref_name": "PF-04691502", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154295, "molecule_chembl_id": "CHEMBL1234354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PF-04691502"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149995", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149995, "molecule_chembl_id": "CHEMBL93233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.13", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)/C=C/c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149801", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149801, "molecule_chembl_id": "CHEMBL7092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.65", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960434", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BICYCLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960434, "molecule_chembl_id": "CHEMBL482035", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.34", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "bicyclol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.868", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc(OC)c2c(c1-c1c(CO)cc(OC)c3c1OCO3)OCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963876", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IVOSIDENIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963876, "molecule_chembl_id": "CHEMBL3989958", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "582.97", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivosidenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.998", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964208", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.80", "bao_label": "assay format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964208, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARMOFUR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "160.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956043", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROXIPIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956043, "molecule_chembl_id": "CHEMBL1566956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Troxipide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152078", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETRIZOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152078, "molecule_chembl_id": "CHEMBL1201327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.86", "alogp": "3.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Acetrizoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151675", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151675, "molecule_chembl_id": "CHEMBL9453", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "410.42", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RWJ-50271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)NCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961088", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961088, "molecule_chembl_id": "CHEMBL198997", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.42", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-261066"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOCCOc1nc(-c2ccc(C(=O)O)c(F)c2)sc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964133", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM MONOFLUOROPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964133, "molecule_chembl_id": "CHEMBL1908359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "143.95", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SODIUM MONOFLUOROPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P([O-])([O-])F.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958488", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRIADIMENOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958488, "molecule_chembl_id": "CHEMBL520275", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.77", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIADIMENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963090", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIZATRIPTAN BENZOATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963090, "molecule_chembl_id": "CHEMBL1201032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "391.48", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rizatriptan Benzoate (Maxalt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.916", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145674", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145674, "molecule_chembl_id": "CHEMBL3774575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "642.78", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IACS-9571"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147849", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147849, "molecule_chembl_id": "CHEMBL598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.79", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK3787"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152356", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152356, "molecule_chembl_id": "CHEMBL560271", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.44", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD119137"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147504", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYLMETHYLSULFONYLFLUORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147504, "molecule_chembl_id": "CHEMBL190503", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PMSF (Phenylmethylsulfonyl Fluoride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(F)Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152074", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152074, "molecule_chembl_id": "CHEMBL3183703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.49", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MCC950"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956604", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELIPRODIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956604, "molecule_chembl_id": "CHEMBL28564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.86", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "ELIPRODIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960735", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960735, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Apitolisib (GDC-0980; RG7422)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963212", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963212, "molecule_chembl_id": "CHEMBL202887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW788388"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.723", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCOCC1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961089", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961089, "molecule_chembl_id": "CHEMBL361259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.45", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "McN-5652-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963781", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963781, "molecule_chembl_id": "CHEMBL149201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-16f"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963092", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963092, "molecule_chembl_id": "CHEMBL1256321", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.14", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-(3-Chlorophenyl)piperazine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(N2CCNCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147531", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147531, "molecule_chembl_id": "CHEMBL370962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bay 60-7550"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nc(O)c3c(C)nc([C@@H](CCCc4ccccc4)[C@@H](C)O)n3n2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151854", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151854, "molecule_chembl_id": "CHEMBL1738872", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.52", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-F-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147517", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147517, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EVACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150294", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SCH-23390", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150294, "molecule_chembl_id": "CHEMBL62", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.79", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-23390"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153870", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153870, "molecule_chembl_id": "CHEMBL4303199", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "306.41", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "casin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCNC1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149388", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149388, "molecule_chembl_id": "CHEMBL1568820", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.28", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC1M0PJ2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1F)Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147638, "molecule_chembl_id": "CHEMBL2419490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.55", "alogp": "2.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147928, "molecule_chembl_id": "CHEMBL284861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.27", "alogp": "0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TDZD-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1sc(=O)n(Cc2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMFIBROZIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147842, "molecule_chembl_id": "CHEMBL457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.34", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMFIBROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152350", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152350, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ubenimex\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148358", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148358, "molecule_chembl_id": "CHEMBL4303214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.40", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fruquintinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147891", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147891, "molecule_chembl_id": "CHEMBL4303729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.54", "alogp": "4.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PLX8394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153991", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIBEFRADIL DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153991, "molecule_chembl_id": "CHEMBL1534525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.56", "alogp": "5.27", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "mibefradil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149492", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MODAFINIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149492, "molecule_chembl_id": "CHEMBL1373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.36", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MODAFINIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838970", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838970, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "236.6", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832031", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GOSERELIN ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832031, "molecule_chembl_id": "CHEMBL1200501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1329.48", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "GOSERELIN ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827322", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.86", "bao_label": "organism-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827322, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13800.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836434", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836434, "molecule_chembl_id": "CHEMBL930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.15", "alogp": "-1.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-Glutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836072", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LETROZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836072, "molecule_chembl_id": "CHEMBL1444", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.31", "alogp": "2.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Letrozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07947", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVERINE CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831211, "molecule_chembl_id": "CHEMBL1408594", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.57", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALVERINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831217", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIDINOL METHANESULFONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831217, "molecule_chembl_id": "CHEMBL1528011", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.53", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRIDINOL METHANESULFONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836094", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MALIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836094, "molecule_chembl_id": "CHEMBL1455497", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "134.09", "alogp": "-1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "malic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2337", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC(O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838680", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APICIDIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838680, "molecule_chembl_id": "CHEMBL430060", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "623.80", "alogp": "3.07", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Apicidin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "179.8", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836439", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITISINONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836439, "molecule_chembl_id": "CHEMBL1337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.23", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitisinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2981", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831745", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PI-103", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831745, "molecule_chembl_id": "CHEMBL573339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PI-103"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838954", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838954, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "262.3", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835869", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRISABOROLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835869, "molecule_chembl_id": "CHEMBL484785", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.05", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Crisaborole (AN2728)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.00306", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831072", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOPTERIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831072, "molecule_chembl_id": "CHEMBL376180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831221", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULOCTIDIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831221, "molecule_chembl_id": "CHEMBL404849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.57", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SULOCTIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831175", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLIMEPIRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831175, "molecule_chembl_id": "CHEMBL1481", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.63", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glimepiride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831579", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BI-2536", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831579, "molecule_chembl_id": "CHEMBL513909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "521.67", "alogp": "3.56", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BI 2536"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831580", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831580, "molecule_chembl_id": "CHEMBL510780", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "263.34", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-8593"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCC[C@H]2Nc1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831236", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFEDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831236, "molecule_chembl_id": "CHEMBL193", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.34", "alogp": "2.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIFEDIPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830264", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRACAZOLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830264, "molecule_chembl_id": "CHEMBL84567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRACAZOLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834972", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARICITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834972, "molecule_chembl_id": "CHEMBL2105759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.43", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Baricitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05063", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835127", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGASEROD", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835127, "molecule_chembl_id": "CHEMBL76370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.39", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tegaserod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04384", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830421, "molecule_chembl_id": "CHEMBL1255945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.09", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(ETHYLSULFANYL)METHANIMIDAMIDE HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835131", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TENOXICAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835131, "molecule_chembl_id": "CHEMBL302795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tenoxicam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3342", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830426", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1400W", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830426, "molecule_chembl_id": "CHEMBL107251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.25", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1400W"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCc1cccc(CN)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838685", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma intracellular receptor 2", "pchembl_value": "7.02", "bao_label": "single protein format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4303093", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4105907", "activity_id": 18838685, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.5", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "ligand_efficiency": {"lle": "1.67", "sei": "16.59", "bei": "15.31", "le": "0.28"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-DTG from the Sigma2 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832541", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832541, "molecule_chembl_id": "CHEMBL1612198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.58", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-12783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835300", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMIFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835300, "molecule_chembl_id": "CHEMBL430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.39", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "gemifloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827839", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TESTOSTERONE PROPIONATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827839, "molecule_chembl_id": "CHEMBL1170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.50", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Testosterone propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831071", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMETREXED DISODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831071, "molecule_chembl_id": "CHEMBL2360464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.38", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PEMETREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830937", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830937, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NITAZOXANIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "43.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830955", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLCEGEPANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830955, "molecule_chembl_id": "CHEMBL207197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "869.66", "alogp": "4.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "OLCEGEPANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836046", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMCINOLONE ACETONIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836046, "molecule_chembl_id": "CHEMBL1504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "triamcinolone-acetonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1503", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835923", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOXOFYLLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835923, "molecule_chembl_id": "CHEMBL1527608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.26", "alogp": "-1.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Doxofylline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06006", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831065", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831065, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORQUINALDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835939", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENASIDENIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835939, "molecule_chembl_id": "CHEMBL3989908", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.38", "alogp": "4.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Enasidenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1439", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835876", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOSPORINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835876, "molecule_chembl_id": "CHEMBL160", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Cyclosporine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838684", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Sigma opioid receptor", "pchembl_value": "5.90", "bao_label": "single protein format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4303094", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL287", "activity_id": 18838684, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Astemizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1266.0", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "ligand_efficiency": {"lle": "0.55", "sei": "13.94", "bei": "12.86", "le": "0.24"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Displacement of [3H]-pentazocin from the Sigma1 receptor", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831822", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831822, "molecule_chembl_id": "CHEMBL597477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.71", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EX 527"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831457", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETOHEXAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831457, "molecule_chembl_id": "CHEMBL1589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETOHEXAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832005", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABERGOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832005, "molecule_chembl_id": "CHEMBL1201087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cabergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835892", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DELAPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835892, "molecule_chembl_id": "CHEMBL589583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.55", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "delapril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.293", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831229", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831229, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LUMINESPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "104.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835907", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835907, "molecule_chembl_id": "CHEMBL6259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.40", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Difloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0587", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838988", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL SHARP FALL OFF AT 10 UM, CELLS 75% MAYBE OFF TARGET?", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838988, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836351", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARLAPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836351, "molecule_chembl_id": "CHEMBL1255891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "707.98", "alogp": "3.62", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Narlaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1004", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836329", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVAMLODIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836329, "molecule_chembl_id": "CHEMBL2111097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levamlodipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04073", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831471", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMICINAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831471, "molecule_chembl_id": "CHEMBL489095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.56", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CAMICINAL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831237", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PANTOPRAZOLE SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831237, "molecule_chembl_id": "CHEMBL1200408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PANTOPRAZOLE (SODIUM)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831277", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831277, "molecule_chembl_id": "CHEMBL254575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.32", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY456236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "52.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836076", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODOPA", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836076, "molecule_chembl_id": "CHEMBL1009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Levodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1611", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830971", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830971, "molecule_chembl_id": "CHEMBL211045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.50", "alogp": "5.89", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NUTLIN-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831007", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831007, "molecule_chembl_id": "CHEMBL216276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.36", "alogp": "5.19", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GP1A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831074", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFCILLIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831074, "molecule_chembl_id": "CHEMBL1200344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.47", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAFCILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830900", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830900, "molecule_chembl_id": "CHEMBL193482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.39", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831012", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMPERIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831012, "molecule_chembl_id": "CHEMBL219916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DOMPERIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831084", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831084, "molecule_chembl_id": "CHEMBL225542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC144"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "108.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cnccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831089", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831089, "molecule_chembl_id": "CHEMBL1990474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.87", "alogp": "3.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-632839"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=C2\\CNC/C(=C\\c3ccc(C)cc3)C2=O)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835962", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFENAMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835962, "molecule_chembl_id": "CHEMBL1451633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etofenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838962", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.12", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838962, "molecule_chembl_id": "CHEMBL4109308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "433.90", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7585.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838990", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "WEAK/INCONCLUSIVE VIRAL SHARP FALL OFF AT 10 UM, CELLS 75% MAYBE OFF TARGET?", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838990, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "161.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831566", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORAPAXAR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831566, "molecule_chembl_id": "CHEMBL493982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.59", "alogp": "5.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VORAPAXAR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832018", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEUPROLIDE ACETATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832018, "molecule_chembl_id": "CHEMBL1200775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1269.47", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "LEUPROLIDE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831482", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831482, "molecule_chembl_id": "CHEMBL465952", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.16", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALDA-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831487", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831487, "molecule_chembl_id": "CHEMBL470334", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.41", "alogp": "3.04", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "VER-155008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836314", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLUTAMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836314, "molecule_chembl_id": "CHEMBL575060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Glutamic Acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1738", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827162", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.60", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827162, "molecule_chembl_id": "CHEMBL423894", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.60", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SL-11128"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "250.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC/C=C\\CNCCCCNCCCCNC/C=C\\CNCC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827165", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.96", "bao_label": "organism-based format", "molecule_pref_name": "FANCHININ", "assay_chembl_id": "CHEMBL4303815", "document_chembl_id": "CHEMBL4303082", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827165, "molecule_chembl_id": "CHEMBL176045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.76", "alogp": "7.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Hanfangchin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830240", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830240, "molecule_chembl_id": "CHEMBL313737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.37", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CY208-243"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834948", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AJMALINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834948, "molecule_chembl_id": "CHEMBL2105617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.44", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ajmaline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830250, "molecule_chembl_id": "CHEMBL1529009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.69", "alogp": "5.16", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZOLANTIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "48.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O.c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834957", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834957, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amisulpride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2622", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834958", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834958, "molecule_chembl_id": "CHEMBL682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1195", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830256", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEPOXALIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830256, "molecule_chembl_id": "CHEMBL316040", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEPOXALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834965", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATENOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834965, "molecule_chembl_id": "CHEMBL24", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Atenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2303", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830882", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFLUMILAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830882, "molecule_chembl_id": "CHEMBL193240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.21", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ROFLUMILAST (DAXAS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835887", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835887, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVATANEPAG", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831719, "molecule_chembl_id": "CHEMBL563646", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.58", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EVATANEPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828008", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828008, "molecule_chembl_id": "CHEMBL4303216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.81", "alogp": "4.57", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Posaconazole hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.639", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827928", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHIONAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827928, "molecule_chembl_id": "CHEMBL1441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.25", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethionamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1212", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(N)=S)ccn1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835028", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAROLUTAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835028, "molecule_chembl_id": "CHEMBL4297185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.85", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ODM-201"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2258", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836462", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMETREXED", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836462, "molecule_chembl_id": "CHEMBL225072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "0.67", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PMX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2782", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827712", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827712, "molecule_chembl_id": "CHEMBL1330865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.87", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ranitidine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09309", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832418", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832418, "molecule_chembl_id": "CHEMBL1474701", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INCA-6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832532", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832532, "molecule_chembl_id": "CHEMBL1604244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.36", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXYLCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831698", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SSR180711", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831698, "molecule_chembl_id": "CHEMBL559478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.21", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SSR-180711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831699", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALEXIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831699, "molecule_chembl_id": "CHEMBL1727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "0.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEPHALEXIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836574", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.349402954,0.109452086)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLPREDNISOLONE SODIUM SUCCINATE", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836574, "molecule_chembl_id": "CHEMBL1201081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.53", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylprednisolone-sodium-succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2294", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838704", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CAMOSTAT", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838704, "molecule_chembl_id": "CHEMBL590799", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "398.42", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Camostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.44", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831767", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831767, "molecule_chembl_id": "CHEMBL569864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.65", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIX01294; 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836551", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.146871317,0.109795157)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENCICLOVIR", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836551, "molecule_chembl_id": "CHEMBL1540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "-0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Penciclovir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1283", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838722", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Alpha-2a adrenergic receptor", "pchembl_value": "5.36", "bao_label": "single protein format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303095", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL1867", "activity_id": 18838722, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4365.16", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.55", "sei": "19.03", "bei": "16.76", "le": "0.33"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838872", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST ASSAY INCONCLUSIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838872, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Midostaurin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.924", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831922", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUCAPARIB PHOSPHATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831922, "molecule_chembl_id": "CHEMBL2105733", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.37", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "RUCAPARIB (AG-014699,PF-01367338) PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838873", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "AGONIST ASSAY INCONCLUSIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIDOSTAURIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838873, "molecule_chembl_id": "CHEMBL608533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.65", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Midostaurin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "336.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831925", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831925, "molecule_chembl_id": "CHEMBL33859", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.01", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MKT-077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(=O)/c(=C2\\Sc3ccccc3N2C)s/c1=C\\c1cccc[n+]1CC.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827231", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827231, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838885", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "ACTIVE CC50==IC50", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838885, "molecule_chembl_id": "CHEMBL4226570", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "1002.66", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "MZ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "158.2", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831935", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETRIMONIUM BROMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831935, "molecule_chembl_id": "CHEMBL307346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.46", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CETRIMONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838891", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NAFAMOSTAT", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838891, "molecule_chembl_id": "CHEMBL273264", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "347.38", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "279.9", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827433", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "FLUPHENAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827433, "molecule_chembl_id": "CHEMBL1448187", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "510.45", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluphenazine Dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.15", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827239", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827239, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Ebastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15420.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838740", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M1", "pchembl_value": "7.70", "bao_label": "single protein format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4303090", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL216", "activity_id": 18838740, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CLEMASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.95", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "ligand_efficiency": {"lle": "2.60", "sei": "61.75", "bei": "22.39", "le": "0.44"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827443", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TRIPARANOL", "assay_chembl_id": "CHEMBL4303825", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827443, "molecule_chembl_id": "CHEMBL187709", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "438.01", "alogp": "5.85", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triparanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831857", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831857, "molecule_chembl_id": "CHEMBL1077819", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "605.59", "alogp": "6.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NBI-74330-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835154", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOPIRAMATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835154, "molecule_chembl_id": "CHEMBL220492", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.37", "alogp": "-0.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Topiramate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835645", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOLDOPAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835645, "molecule_chembl_id": "CHEMBL588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.76", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fenoldopam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835656", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSTAMATINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835656, "molecule_chembl_id": "CHEMBL2103830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.47", "alogp": "3.09", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Fostamatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09741", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838775", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC cytotoxicity", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "AGONIST AGONIST", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4303089", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838775, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "185.5", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827847", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIENOGEST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827847, "molecule_chembl_id": "CHEMBL1201864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "311.42", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dienogest"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1822", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831575", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB590885", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831575, "molecule_chembl_id": "CHEMBL477989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.55", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB590885"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\\O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836449", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABERGOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836449, "molecule_chembl_id": "CHEMBL1201087", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "451.62", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cabergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1061", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836464", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOETHARINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836464, "molecule_chembl_id": "CHEMBL1201213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.31", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Isoetharine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(NC(C)C)C(O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827394", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827394, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tamoxifen Citrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37960.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832099", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMEGRIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832099, "molecule_chembl_id": "CHEMBL1214192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BEMEGRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C)CC(=O)NC(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836148", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEPAFENAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836148, "molecule_chembl_id": "CHEMBL1021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nepafenac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01515", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831207", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINTITRIPT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831207, "molecule_chembl_id": "CHEMBL249973", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.87", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SR-27897"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831041", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831041, "molecule_chembl_id": "CHEMBL3109656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.46", "alogp": "3.54", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "DISODIUM 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-2-NAPHTHALENESULFONATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836104", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MELPHALAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836104, "molecule_chembl_id": "CHEMBL852", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.21", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Melphalan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831186", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOBAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831186, "molecule_chembl_id": "CHEMBL239800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.69", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "FENOBAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836330", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.197577015,0.037752405)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836330, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Levodropropizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1177", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831180", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETHANECHOL CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831180, "molecule_chembl_id": "CHEMBL1768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETHANECHOL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C[N+](C)(C)C)OC(N)=O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830974", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830974, "molecule_chembl_id": "CHEMBL211769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOMELUKAST", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830719, "molecule_chembl_id": "CHEMBL162358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.38", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY 171883"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835474", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAFILOMYCIN A1", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835474, "molecule_chembl_id": "CHEMBL290814", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "622.84", "alogp": "4.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Bafilomycin A1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/C1=C\\C(C)=C\\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830771", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACESULFAME POTASSIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830771, "molecule_chembl_id": "CHEMBL1351474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.24", "alogp": "-0.72", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ACESULFAME POTASSIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835481", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFOTETAN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835481, "molecule_chembl_id": "CHEMBL474579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "575.63", "alogp": "-1.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "cefotetan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1396", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839047", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOMIVOSERTIB", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839047, "molecule_chembl_id": "CHEMBL4073443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tomivosertib (eFT-508)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830788", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830788, "molecule_chembl_id": "CHEMBL178455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.42", "alogp": "6.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KI-8751"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835494", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.079811075,0.021980986)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835494, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0509", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830690", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830690, "molecule_chembl_id": "CHEMBL1314877", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.26", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENILCONAZOLE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831877", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZOSEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831877, "molecule_chembl_id": "CHEMBL1097235", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.85", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "AZOSEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838989", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "WEAK/INCONCLUSIVE VIRAL SHARP FALL OFF AT 10 UM, CELLS 75% MAYBE OFF TARGET?", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIROLIMUS", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838989, "molecule_chembl_id": "CHEMBL413", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "914.19", "alogp": "6.18", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Rapamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "237.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831880", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOMENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831880, "molecule_chembl_id": "CHEMBL1096927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVOMENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838862", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "RETEST AT HIGHER DOSE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METFORMIN", "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838862, "molecule_chembl_id": "CHEMBL1431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.17", "alogp": "-1.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Metformin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NC(=N)N", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831751", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORBINALTORPHIMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831751, "molecule_chembl_id": "CHEMBL573214", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "661.80", "alogp": "3.82", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NOR-BINALTORPHIMINE-DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833912", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833912, "molecule_chembl_id": "CHEMBL4303343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.40", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEFICITINIB (ASP015K, JNJ-54781532)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C2C[C@@H]3C[C@H]1C[C@](O)(C2)C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOBETIROME", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830428, "molecule_chembl_id": "CHEMBL107400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.41", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SOBETIROME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835139", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIMEROSAL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835139, "molecule_chembl_id": "CHEMBL508338", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.82", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Thimerosal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04449", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830449", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CORTICOSTERONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830449, "molecule_chembl_id": "CHEMBL110739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CORTICOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838933", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303780", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838933, "molecule_chembl_id": "CHEMBL53325", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "370.58", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PB28"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "500.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity index for SigmaR1/R2 on-target Kd values vs. hERG ion channel", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838938", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "WEAK ACTIVITY/INCONCLUSIVE TEST AT HIGHER DOSE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838938, "molecule_chembl_id": "CHEMBL4088272", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-144418"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.928", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827290", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "HEXACHLOROPHENE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827290, "molecule_chembl_id": "CHEMBL496", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "406.91", "alogp": "6.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Hexachlorophene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.55", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827446", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": ">>", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BENZTROPINE MESYLATE", "assay_chembl_id": "CHEMBL4303828", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL612558", "activity_id": 18827446, "molecule_chembl_id": "CHEMBL1200383", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "403.54", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Benztropine Mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.81", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830562", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830562, "molecule_chembl_id": "CHEMBL128772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-CARBOXY-4-HYDROXYPHENYLGLYCINE-(S)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](C(=O)O)c1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831677", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPHA-KETOGLUTARIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831677, "molecule_chembl_id": "CHEMBL1686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.10", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-OXOGLUTARIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830722", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIRACETAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830722, "molecule_chembl_id": "CHEMBL159776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.39", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRAMIRACETAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830505", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOLMITRIPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830505, "molecule_chembl_id": "CHEMBL1185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.36", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ZOLMITRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835288", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FORMOTEROL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835288, "molecule_chembl_id": "CHEMBL1256786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "formoterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827809", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANOSINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827809, "molecule_chembl_id": "CHEMBL283078", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.31", "alogp": "-1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thioguanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1565", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832514", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832514, "molecule_chembl_id": "CHEMBL1570294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "323.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLICLAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827711", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827711, "molecule_chembl_id": "CHEMBL4303541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.38", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metaraminol bitartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01853", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830673", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLDIMETHYLPIPERAZINIUM IODIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830673, "molecule_chembl_id": "CHEMBL1785001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.14", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-ACETYL-1,1-DIMETHYLPIPERAZINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CC[N+](C)(C)CC1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839012", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839012, "molecule_chembl_id": "CHEMBL222301", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-PPCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "337.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1(c2ccc(C)cc2)CC1CN1CCC(O)(c2ccccc2)CC1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827508", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RACECADOTRIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827508, "molecule_chembl_id": "CHEMBL2103772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.49", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Racecadotril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3032", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832213", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832213, "molecule_chembl_id": "CHEMBL1255588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.53", "alogp": "4.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(+)-BUTACLAMOL.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829464", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BREFELDIN A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829464, "molecule_chembl_id": "CHEMBL19980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.36", "alogp": "1.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BREFELDIN-A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827729", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827729, "molecule_chembl_id": "CHEMBL1413176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIFENAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02671", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833957", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANDESARTAN CILEXETIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833957, "molecule_chembl_id": "CHEMBL1014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.67", "alogp": "6.32", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "CANDESARTAN CILEXTIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833962", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833962, "molecule_chembl_id": "CHEMBL1813256", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.13", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "IXAZOMIB CITRATE (MLN9708)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832196", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832196, "molecule_chembl_id": "CHEMBL1554438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.82", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N20C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NC(=O)CNCCC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827496", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMIN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827496, "molecule_chembl_id": "CHEMBL231884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.55", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "Diosmin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834862", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CROCONAZOLE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834862, "molecule_chembl_id": "CHEMBL27289", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "310.78", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830165", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIVIRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830165, "molecule_chembl_id": "CHEMBL70663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.41", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DAPIVIRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830313", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIBUCAINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830313, "molecule_chembl_id": "CHEMBL1086", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.47", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIBUCAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835296", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GATIFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835296, "molecule_chembl_id": "CHEMBL31", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.40", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GATIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1144", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827706", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLBUTAMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827706, "molecule_chembl_id": "CHEMBL782", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.35", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tolbutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01112", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830329", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALCLOFENAC", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830329, "molecule_chembl_id": "CHEMBL94081", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.66", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALCLOFENAC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccc(CC(=O)O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834403, "molecule_chembl_id": "CHEMBL4303161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "SODIUM NITROPRUSSIDE DIHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834698", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.85 \u00b1 1.08", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.73", "bao_label": "organism-based format", "molecule_pref_name": "HAEMAPORPHYRIN", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834698, "molecule_chembl_id": "CHEMBL317840", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.70", "alogp": "6.63", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "HEMATOPORPHYRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1850.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834845", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834845, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834846", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834846, "molecule_chembl_id": "CHEMBL1484738", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "395.29", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPAG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833940", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833940, "molecule_chembl_id": "CHEMBL1624380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.84", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-04-5595"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)C(CCc1ccc(Cl)cc1)N(C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832315", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832315, "molecule_chembl_id": "CHEMBL1371156", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRL-54443"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(c2c[nH]c3ccc(O)cc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827612", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXISYLYTE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827612, "molecule_chembl_id": "CHEMBL1256739", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.84", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Moxisylyte hydrochoride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01913", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829042", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829042, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indomethacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833746", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOCARBAMOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833746, "molecule_chembl_id": "CHEMBL1201117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOCARBAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829046", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829046, "molecule_chembl_id": "CHEMBL1591531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "553.67", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISINDOLYLMALEIMIDE-IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833760", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLESOXIME", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833760, "molecule_chembl_id": "CHEMBL3545254", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.66", "alogp": "7.86", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "OLESOXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829061", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Ro-154513", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829061, "molecule_chembl_id": "CHEMBL6597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.32", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-15-4513"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827651", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAMOTIDINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827651, "molecule_chembl_id": "CHEMBL902", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.46", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "famotidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07228", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832356", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPIRIZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832356, "molecule_chembl_id": "CHEMBL1411693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.26", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPIRIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)nc(-n2nc(C)cc2OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827653", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827653, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9499", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827662", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEHYDROCHOLIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827662, "molecule_chembl_id": "CHEMBL514446", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dehydrocholic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2101", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832371", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832371, "molecule_chembl_id": "CHEMBL1433455", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.44", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-21009"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)c1cc2c(OC[C@@H](O)CNC(C)(C)C)cccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832374", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832374, "molecule_chembl_id": "CHEMBL1434196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1550.19", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "IODIXANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827535", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRSOGLADINE MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827535, "molecule_chembl_id": "CHEMBL1712923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.17", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Irsogladine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01604", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833629", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833629, "molecule_chembl_id": "CHEMBL1241589", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.43", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-5458317"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-39.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccccc2)C(NC2CCCCC2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833388", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZEMETOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833388, "molecule_chembl_id": "CHEMBL3414621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.75", "alogp": "4.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TAZEMETOSTAT (EPZ-6438)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828689", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828689, "molecule_chembl_id": "CHEMBL3183067", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.36", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Flurbiprofen axetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829016", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "SULFADOXINE", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829016, "molecule_chembl_id": "CHEMBL1539", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "310.34", "alogp": "0.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfadoxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829364", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBUFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829364, "molecule_chembl_id": "CHEMBL277522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENBUFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829365", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHYLPARABEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829365, "molecule_chembl_id": "CHEMBL15841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL PARABEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827480", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENAC SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827480, "molecule_chembl_id": "CHEMBL1034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.14", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Diclofenac sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07786", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827482", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOMEPIZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827482, "molecule_chembl_id": "CHEMBL1308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "82.11", "alogp": "0.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fomepizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03421", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn[nH]c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827486", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOPICLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827486, "molecule_chembl_id": "CHEMBL135400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.82", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zopiclone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09849", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832306", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832306, "molecule_chembl_id": "CHEMBL1362630", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIAPROFENIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(C(=O)c2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828757", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPODOXIME PROXETIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828757, "molecule_chembl_id": "CHEMBL1201016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.61", "alogp": "0.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefpodoxime proxetil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833898", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFADROXIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833898, "molecule_chembl_id": "CHEMBL1644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFADROXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828711", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCAINIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828711, "molecule_chembl_id": "CHEMBL1200773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.72", "alogp": "1.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tocainide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8116", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C(C)N.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832278", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DILOXANIDE FUROATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832278, "molecule_chembl_id": "CHEMBL1334860", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.15", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DILOXANIDE FUROATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830036, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "EPALRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833464", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIMEPINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833464, "molecule_chembl_id": "CHEMBL3622533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "2.14", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "CUDC-907"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834879", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834879, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830178", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830178, "molecule_chembl_id": "CHEMBL74987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "183.16", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIHYDROXYPHENYLGLYCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829676", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829676, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832399", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETOFENAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832399, "molecule_chembl_id": "CHEMBL1451633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.34", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETOFENAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828748", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITAZOXANIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828748, "molecule_chembl_id": "CHEMBL1401", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.29", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nitazoxanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6122", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834142", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CIMETROPIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834142, "molecule_chembl_id": "CHEMBL2110773", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.46", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CIMETROPIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831025", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY404039", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831025, "molecule_chembl_id": "CHEMBL375611", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.22", "alogp": "-2.10", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "LY2140023 (LY404039)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832128", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832128, "molecule_chembl_id": "CHEMBL1230845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "151.21", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROXYAMPHETAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831692", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYTISINICLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831692, "molecule_chembl_id": "CHEMBL497939", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "190.25", "alogp": "0.55", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CYTISINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827345", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CLOMIPRAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827345, "molecule_chembl_id": "CHEMBL1200710", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "351.32", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clomipramine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29680.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831694", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831694, "molecule_chembl_id": "CHEMBL586702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.42", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZSTK474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832133", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832133, "molecule_chembl_id": "CHEMBL1231358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.34", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-BLEBBISTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832135", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832135, "molecule_chembl_id": "CHEMBL1231533", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.23", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-604850"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831795", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831795, "molecule_chembl_id": "CHEMBL602850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.37", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838833", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Activity", "standard_relation": null, "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303092", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838833, "molecule_chembl_id": "CHEMBL1957266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "457.00", "alogp": "5.53", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JQ1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": null, "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2", "document_journal": "Nature", "uo_units": null, "assay_description": "Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound by crystal violet staining 3) Cell viability (cytotoxicity) measuring percentage viable Vero E6 cells 48 h after compound addition by AlamarBlue assay.", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827183", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.36", "bao_label": "organism-based format", "molecule_pref_name": "CICLESONIDE", "assay_chembl_id": "CHEMBL4303812", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827183, "molecule_chembl_id": "CHEMBL2040682", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.70", "alogp": "4.70", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ciclesonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832052", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSPHENYTOIN SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832052, "molecule_chembl_id": "CHEMBL919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.24", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FOSPHENYTOIN DISODIUM SALT HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831775", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831775, "molecule_chembl_id": "CHEMBL569766", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.28", "alogp": "5.21", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "G-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832518", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832518, "molecule_chembl_id": "CHEMBL1790039", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.65", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BRILLIANT GREEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832519", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832519, "molecule_chembl_id": "CHEMBL1590048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCA-4248"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "55.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832520", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832520, "molecule_chembl_id": "CHEMBL1590266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.49", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-14506"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835377", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORICIZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835377, "molecule_chembl_id": "CHEMBL1075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.53", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "moracizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827821", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZBROMARONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827821, "molecule_chembl_id": "CHEMBL388590", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.09", "alogp": "5.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "benzbromarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832332", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAPTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832332, "molecule_chembl_id": "CHEMBL1395579", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "105.21", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827637", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METRONIDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827637, "molecule_chembl_id": "CHEMBL137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "9; MET-OH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.007084", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CCO", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832342", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832342, "molecule_chembl_id": "CHEMBL1399511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.90", "alogp": "0.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCSC[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827549", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMERAZINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827549, "molecule_chembl_id": "CHEMBL438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.31", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfamerazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.009387", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832264", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLTHIOURACIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832264, "molecule_chembl_id": "CHEMBL1330588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "142.18", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLTHIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829439", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMPENTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829439, "molecule_chembl_id": "CHEMBL417096", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IMPENTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832269", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832269, "molecule_chembl_id": "CHEMBL1331443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "239.18", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3,4-DCPG-(+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831688", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831688, "molecule_chembl_id": "CHEMBL526281", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.38", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-582941"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831890", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANIDIPINE 6300", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831890, "molecule_chembl_id": "CHEMBL1085699", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "610.71", "alogp": "4.95", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "MANIDIPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832056", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLERGONOVINE MALEATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832056, "molecule_chembl_id": "CHEMBL1200843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHYLERGOMETRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839026", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18839026, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.685", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827725", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOPROFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827725, "molecule_chembl_id": "CHEMBL571", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DEXKETOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827474", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827474, "molecule_chembl_id": "CHEMBL1323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.67", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Darunavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.155", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829470", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CREATINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829470, "molecule_chembl_id": "CHEMBL283800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CREATINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(CC(=O)O)C(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834171", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834171, "molecule_chembl_id": "CHEMBL4303552", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "117.11", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROSODIMETHYLUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)N(C)N=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832183", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXANTEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832183, "molecule_chembl_id": "CHEMBL1240977", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.28", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXANTEL PAMOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN=C1/C=C/c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GPI-1046", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829069, "molecule_chembl_id": "CHEMBL6367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GPI-1046"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827494", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LORACARBEF", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827494, "molecule_chembl_id": "CHEMBL1013", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.77", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Loracarbef"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02483", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827670", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPYRIDAMOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827670, "molecule_chembl_id": "CHEMBL932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.64", "alogp": "-0.02", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dipyridamole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830862", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIDOLGOSIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830862, "molecule_chembl_id": "CHEMBL371197", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "-1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SWAINSONINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H]1[C@H](O)CN2CCC[C@@H](O)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834964", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASCORBIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834964, "molecule_chembl_id": "CHEMBL196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.12", "alogp": "-1.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ASCORBIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06898", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C(O)=C1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830262, "molecule_chembl_id": "CHEMBL83521", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.64", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLAZURIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827814", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEMIROLAST POTASSIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827814, "molecule_chembl_id": "CHEMBL1201050", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.31", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pemirolast potassium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2426", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830418", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830418, "molecule_chembl_id": "CHEMBL105462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "873.03", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "U-75799E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830413", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANIDINOETHYLDISULFIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830413, "molecule_chembl_id": "CHEMBL105278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.37", "alogp": "-0.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GUANIDINOETHYLDISULFIDE-BICARBONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)NCCSSCCNC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827946", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827946, "molecule_chembl_id": "CHEMBL3561076", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.26", "alogp": "1.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Trimetazidine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09163", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829189", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESO-HEXESTROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829189, "molecule_chembl_id": "CHEMBL9225", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.37", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HEXESTROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829111", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMERAZINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829111, "molecule_chembl_id": "CHEMBL438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.31", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFAMERAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835149", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIROFIBAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835149, "molecule_chembl_id": "CHEMBL3189072", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.08", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tirofiban Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1975", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830445", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(-)-ROLIPRAM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830445, "molecule_chembl_id": "CHEMBL430893", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROLIPRAM-R(-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835174", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORTIOXETINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835174, "molecule_chembl_id": "CHEMBL2104993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.46", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vortioxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1805", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835031", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLSALAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835031, "molecule_chembl_id": "CHEMBL425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Olsalazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0313", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830522", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830522, "molecule_chembl_id": "CHEMBL263291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "875.11", "alogp": "5.60", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "IVERMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835030", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMUTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835030, "molecule_chembl_id": "CHEMBL3786343", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "486.60", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Olmutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2407", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830364", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYAMIDOTRIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830364, "molecule_chembl_id": "CHEMBL95431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.68", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CARBOXYAMIDOTRIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "135.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830367", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830367, "molecule_chembl_id": "CHEMBL94734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.45", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-MPPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835634", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835634, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ethinyl estradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06314", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835642", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FAROPENEM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835642, "molecule_chembl_id": "CHEMBL556262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.32", "alogp": "0.37", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "faropenem"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1823", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835335", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SELINEXOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835335, "molecule_chembl_id": "CHEMBL3545185", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "443.31", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "KPT-330"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1809", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830632", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830632, "molecule_chembl_id": "CHEMBL145725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.86", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-16566"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830640", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALMETEROL XINAFOATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830640, "molecule_chembl_id": "CHEMBL1082607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.76", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALMETEROL (XINAFOATE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830641", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESATENOLOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830641, "molecule_chembl_id": "CHEMBL343633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ATENOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835346", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LISINOPRIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835346, "molecule_chembl_id": "CHEMBL1237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.50", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lisinopril"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2648", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831550", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISKIREN FUMARATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831550, "molecule_chembl_id": "CHEMBL3545059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1219.61", "alogp": "3.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ALISKIREN HEMIFUMARATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835310", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.883930397,0.846138693)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835310, "molecule_chembl_id": "CHEMBL2016757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.27", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GS-441524"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.865", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831553", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831553, "molecule_chembl_id": "CHEMBL513021", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "6.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MILTEFOSINE [5MM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827932", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENPERONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827932, "molecule_chembl_id": "CHEMBL18331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pirenperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835379", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXONIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835379, "molecule_chembl_id": "CHEMBL19236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.68", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Moxonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.157", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832442", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENFOTIAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832442, "molecule_chembl_id": "CHEMBL1491875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.46", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENFOTIAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835982", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAMETHIZOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835982, "molecule_chembl_id": "CHEMBL1191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.34", "alogp": "1.23", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sulfamethizole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1221", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835984", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAFLUPROST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835984, "molecule_chembl_id": "CHEMBL1963683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.54", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tafluprost"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836488", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBINOXAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836488, "molecule_chembl_id": "CHEMBL864", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.79", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "carbinoxamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1089", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831717", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831717, "molecule_chembl_id": "CHEMBL453105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.77", "alogp": "-0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DANEGAPTIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835591", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCHLORPERAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835591, "molecule_chembl_id": "CHEMBL728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.95", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prochlorperazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01288", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838821", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "Ki", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Muscarinic acetylcholine receptor M5", "pchembl_value": "4.70", "bao_label": "single protein format", "molecule_pref_name": "HYDROXYCHLOROQUINE", "assay_chembl_id": "CHEMBL4303777", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL2035", "activity_id": 18838821, "molecule_chembl_id": "CHEMBL1535", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.88", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxychloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19952.62", "assay_type": "B", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "ligand_efficiency": {"lle": "0.92", "sei": "9.71", "bei": "13.99", "le": "0.28"}, "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB", "bao_format": "BAO_0000357"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830429", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830429, "molecule_chembl_id": "CHEMBL105867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.54", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CERAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835136", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EVOFOSFAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835136, "molecule_chembl_id": "CHEMBL260046", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.04", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TH-302"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830438", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830438, "molecule_chembl_id": "CHEMBL108425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.21", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-511"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830175", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELMISARTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830175, "molecule_chembl_id": "CHEMBL1017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.63", "alogp": "7.26", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TELMISARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834885", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834885, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "arbidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "75.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834890", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE", "assay_chembl_id": "CHEMBL4303816", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834890, "molecule_chembl_id": "CHEMBL633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.32", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "amiodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "70.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834640", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834640, "molecule_chembl_id": "CHEMBL4303228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.46", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PERETINOIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830190", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRYPTANTHRIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830190, "molecule_chembl_id": "CHEMBL306946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRYPTANTHRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-n2c1nc1ccccc1c2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834897", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIODARONE", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834897, "molecule_chembl_id": "CHEMBL633", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.32", "alogp": "6.94", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "amiodarone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830058", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSENTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830058, "molecule_chembl_id": "CHEMBL957", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "551.63", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BOSENTAN HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834665", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GADOTERIDOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834665, "molecule_chembl_id": "CHEMBL1200593", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.69", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "GADOTERIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829884", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OTAMIXABAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829884, "molecule_chembl_id": "CHEMBL46618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.51", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OTAMIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834690", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "1.34 \u00b1 0.92", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.87", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834690, "molecule_chembl_id": "CHEMBL1518572", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.44", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93423"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1340.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828709", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIMEXOLONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828709, "molecule_chembl_id": "CHEMBL1200617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.53", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rimexolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1893", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834711", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "5.91 \u00b1 0.57", "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.23", "bao_label": "organism-based format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834711, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APIXABAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5910.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830171", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-CHLOROKYNURENIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830171, "molecule_chembl_id": "CHEMBL311389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.62", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-CHLOROKYNURENIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2ccc(Cl)cc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830172", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN MORPHOLINYLAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830172, "molecule_chembl_id": "CHEMBL72631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.90", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BML-190"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827804", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DOMPERIDONE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827804, "molecule_chembl_id": "CHEMBL219916", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.92", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Domperidone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832411", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832411, "molecule_chembl_id": "CHEMBL1464276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OAC2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832512", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CRIDANIMOD", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832512, "molecule_chembl_id": "CHEMBL1569545", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.26", "alogp": "2.24", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CRIDANIMOD"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2ccccc2c(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830417", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLEANOLIC_ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830417, "molecule_chembl_id": "CHEMBL168", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.71", "alogp": "7.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827810", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOZAPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827810, "molecule_chembl_id": "CHEMBL42", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Clozapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1856", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832517", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832517, "molecule_chembl_id": "CHEMBL1579066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "3.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DITHRANOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc2cc3cccc(O)c3c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832524", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832524, "molecule_chembl_id": "CHEMBL1317124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.87", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RS-102895"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "82.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827832", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEQUALINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827832, "molecule_chembl_id": "CHEMBL121663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.58", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Dequalinium dichloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01137", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827835", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827835, "molecule_chembl_id": "CHEMBL4303360", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "621.64", "alogp": "-8.42", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Amikacin hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1781", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827724", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBUFEN", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827724, "molecule_chembl_id": "CHEMBL277522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENBUFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07555", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833953", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833953, "molecule_chembl_id": "CHEMBL314612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EMD-53998"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "69.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)SC4C)ccc32)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834740", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "6.58 \u00b1 9.76", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834740, "molecule_chembl_id": "CHEMBL4303677", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "660.53", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AI-10-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6580.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830045", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830045, "molecule_chembl_id": "CHEMBL59834", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.44", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BIMU8 HYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829079", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAFENIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829079, "molecule_chembl_id": "CHEMBL1593568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.70", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MAFENIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830164", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830164, "molecule_chembl_id": "CHEMBL72410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.69", "alogp": "5.95", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "IRL-2500"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827516", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXFENFLURAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827516, "molecule_chembl_id": "CHEMBL1887891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.72", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dexfenfluramine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05706", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832222", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832222, "molecule_chembl_id": "CHEMBL1271047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.37", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZK-93426"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827528", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827528, "molecule_chembl_id": "CHEMBL4303297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "873.09", "alogp": "5.38", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Avermectin B1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1278", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)C(O[C@H]3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827691", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827691, "molecule_chembl_id": "CHEMBL1200677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.64", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hydralazine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08899", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N/N=C1\\N=NC=C2C=CC=CC21", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830391", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830391, "molecule_chembl_id": "CHEMBL75232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.91", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VATALANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "85.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832407", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832407, "molecule_chembl_id": "CHEMBL1457550", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TROPICAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832506", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832506, "molecule_chembl_id": "CHEMBL1564869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.33", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827803", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GUANFACINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827803, "molecule_chembl_id": "CHEMBL1200494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.56", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Guanfacine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1554", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827578", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOFLUPREDONE ACETATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827578, "molecule_chembl_id": "CHEMBL1608183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.48", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isoflupredone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0827", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832283", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENYL SALICYLATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832283, "molecule_chembl_id": "CHEMBL1339216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "214.22", "alogp": "2.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENYL-SALICYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccccc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832295", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832295, "molecule_chembl_id": "CHEMBL1356775", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.43", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-90709"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827661", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827661, "molecule_chembl_id": "CHEMBL1693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.76", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amfepramone hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1765", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(C)C(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827666", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827666, "molecule_chembl_id": "CHEMBL3186993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.83", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydroxyzine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5689", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831593", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831593, "molecule_chembl_id": "CHEMBL1200675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TOREMIFENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829201, "molecule_chembl_id": "CHEMBL9540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO-1138452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835101", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM GUALENATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835101, "molecule_chembl_id": "CHEMBL1837010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sodium-gualenate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2044", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830588", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RAMELTEON", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830588, "molecule_chembl_id": "CHEMBL1218", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "259.35", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RAMELTEON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829945", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALBUPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829945, "molecule_chembl_id": "CHEMBL1201132", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.91", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NALBUPHINE.HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830475", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOEXIPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830475, "molecule_chembl_id": "CHEMBL1200534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "535.04", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MOEXIPRIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830480", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830480, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROSMARINIC-ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835188", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASENAPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835188, "molecule_chembl_id": "CHEMBL3187365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.77", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Asenapine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0724", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830277", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NABUMETONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830277, "molecule_chembl_id": "CHEMBL1070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NABUMETONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc(CCC(C)=O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830485", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830485, "molecule_chembl_id": "CHEMBL327002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "613.69", "alogp": "5.37", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "WAY-170523"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(C(=O)NO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827352", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MEFLOQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303824", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827352, "molecule_chembl_id": "CHEMBL535650", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "414.78", "alogp": "4.45", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mefloquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18530.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839024", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APABETALONE", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839024, "molecule_chembl_id": "CHEMBL2393130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.41", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "RVX-208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "293.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839054", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE TEST AT HIGHER DOSE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "VALPROIC ACID", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18839054, "molecule_chembl_id": "CHEMBL109", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "valproic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7847", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)O", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832119", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832119, "molecule_chembl_id": "CHEMBL1398213", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.22", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF-91488"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCCSC(=N)N.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827418", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Weight loss", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303833", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827418, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829933", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829933, "molecule_chembl_id": "CHEMBL48361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.52", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BIBR 953 (DABIGATRAN ETEXILATE, PRADAXA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834893", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Active (P < 0.01)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOREMIFENE", "assay_chembl_id": "CHEMBL4303817", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834893, "molecule_chembl_id": "CHEMBL1655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.97", "alogp": "6.22", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "toremifene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": "CHEMBL3987824", "assay_tissue": "Lung epithelium"}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834905", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Huh-7", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CHLOROQUINE", "assay_chembl_id": "CHEMBL4303818", "document_chembl_id": "CHEMBL4303121", "target_chembl_id": "CHEMBL614039", "activity_id": 18834905, "molecule_chembl_id": "CHEMBL76", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "319.88", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "chloroquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307515", "assay_cell_type": "Huh-7 ", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834576", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVESPIMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834576, "molecule_chembl_id": "CHEMBL383824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.76", "alogp": "1.91", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "17-DMAG HCL (ALVESPIMYCIN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829965", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYLIC ACID METABOLITE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829965, "molecule_chembl_id": "CHEMBL907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.90", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CARBOXYLOSARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830073", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPABUCASIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830073, "molecule_chembl_id": "CHEMBL64130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.21", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAPABUCASIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834591", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834591, "molecule_chembl_id": "CHEMBL4303382", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "505.00", "alogp": "3.83", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CZC-54252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "45.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829697", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829697, "molecule_chembl_id": "CHEMBL285480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "5.88", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CH55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829013", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OXPRENOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829013, "molecule_chembl_id": "CHEMBL1200745", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "301.81", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oxprenolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828690", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828690, "molecule_chembl_id": "CHEMBL4303511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.85", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Pilsicainide Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08672", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829015", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829015, "molecule_chembl_id": "CHEMBL1256817", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "362.30", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clemizole hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829018", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829018, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Opipramol dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827529", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRANLUKAST", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827529, "molecule_chembl_id": "CHEMBL21333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.51", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PRANLUKAST"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1423", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832242", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832242, "molecule_chembl_id": "CHEMBL1316265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.66", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "OMDM-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832246", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832246, "molecule_chembl_id": "CHEMBL1316674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-36"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCCO)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834139", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834139, "molecule_chembl_id": "CHEMBL1522710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.55", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FUMAGILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829445", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FANAPANEL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829445, "molecule_chembl_id": "CHEMBL19892", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.26", "alogp": "0.68", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ZK-200775"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827600", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTIPYRINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827600, "molecule_chembl_id": "CHEMBL277474", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.23", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Antipyrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001955", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832307", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832307, "molecule_chembl_id": "CHEMBL1363071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.29", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUN-B-8155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\c1ccccc1N)c1c(C)cc(=O)n(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829462", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APAFANT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829462, "molecule_chembl_id": "CHEMBL280164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.97", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APAFANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-28.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827380", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303827", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303840", "activity_id": 18827380, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38630.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18839031", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC", "standard_relation": "=", "data_validity_comment": "Non standard unit for type", "activity_comment": "WEAK/INCONCLUSIVE VIRAL CURVE NOT SATURATED AT 20 UM, 30%  VIABILITIY WITH IC50 ~ 1 NM? (MAYBE OFF TARGET EFFECT?) ", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4303085", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18839031, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sapanisertib (INK128/MlN128)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "329.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": "Nature", "uo_units": null, "assay_description": "AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832085", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-399885", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832085, "molecule_chembl_id": "CHEMBL1210710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.36", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-399885"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1N1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153307", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAROTENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153307, "molecule_chembl_id": "CHEMBL442016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Adarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150045", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150045, "molecule_chembl_id": "CHEMBL1255756", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.68", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "melevodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154198", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.98", "bao_label": "organism-based format", "molecule_pref_name": "ADOMEGLIVANT", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154198, "molecule_chembl_id": "CHEMBL3707351", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.64", "alogp": "7.94", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "ADOMEGLIVANT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10550.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROCILETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150262, "molecule_chembl_id": "CHEMBL3545308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "555.56", "alogp": "4.78", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Rociletinib (CO-1686; AVL-301)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955660", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SARCOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955660, "molecule_chembl_id": "CHEMBL304383", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sarcosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955670", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VITAMIN E", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955670, "molecule_chembl_id": "CHEMBL47", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "430.72", "alogp": "8.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vitamin E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960240", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HARMAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960240, "molecule_chembl_id": "CHEMBL12014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.23", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "harmane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccc2c1[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151487", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151487, "molecule_chembl_id": "CHEMBL2204240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.84", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML281 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153401", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153401, "molecule_chembl_id": "CHEMBL4564280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.50", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FM-381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150236", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150236, "molecule_chembl_id": "CHEMBL1577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyclothiazide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148795", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFOCTOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148795, "molecule_chembl_id": "CHEMBL1476605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOFOCTOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152041", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152041, "molecule_chembl_id": "CHEMBL522691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.63", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "LP-211"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(CNC(=O)CCCCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153567", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153567, "molecule_chembl_id": "CHEMBL4565370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.61", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@]3(C)C(N)=O)cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149978", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMCITABINE ELAIDATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149978, "molecule_chembl_id": "CHEMBL3039516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.65", "alogp": "5.30", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Gemcitabine (elaidate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154480", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TANDUTINIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154480, "molecule_chembl_id": "CHEMBL124660", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tandutinib (MLN518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154494", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "TYRPHOSTIN AG 879", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154494, "molecule_chembl_id": "CHEMBL539947", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "316.47", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 879 (AG 879)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154321", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.37", "bao_label": "organism-based format", "molecule_pref_name": "TANDUTINIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154321, "molecule_chembl_id": "CHEMBL124660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "562.72", "alogp": "5.03", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tandutinib (MLN518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4230.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149808, "molecule_chembl_id": "CHEMBL140220", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "251.28", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-64131"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151609", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151609, "molecule_chembl_id": "CHEMBL4303664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "618.52", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "hemin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147109", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZATEBRADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147109, "molecule_chembl_id": "CHEMBL543767", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "493.04", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zatebradine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151852", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151852, "molecule_chembl_id": "CHEMBL321415", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.51", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ML-3403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149346", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFAQUINOXALINE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149346, "molecule_chembl_id": "CHEMBL1527324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.33", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFAQUINOXALINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154179", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLROSANILINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154179, "molecule_chembl_id": "CHEMBL592105", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.54", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "METHYLROSANILINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829389", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIAMTERENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829389, "molecule_chembl_id": "CHEMBL585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.27", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIAMTERENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833382", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833382, "molecule_chembl_id": "CHEMBL3407862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "524.62", "alogp": "6.49", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AMG-PERK-44"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2cc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835283", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835283, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flumazenil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1603", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834614", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834614, "molecule_chembl_id": "CHEMBL4303152", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.24", "alogp": "-2.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUANOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833084", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833084, "molecule_chembl_id": "CHEMBL2178101", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.33", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLPG0492 (R ENANTIOMER)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)[C@]1(CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828288", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CENTROPHENOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828288, "molecule_chembl_id": "CHEMBL1256131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.18", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meclofenoxate hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1587", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833064", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELUXADOLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833064, "molecule_chembl_id": "CHEMBL2159122", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.66", "alogp": "4.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ELUXADOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830373", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830373, "molecule_chembl_id": "CHEMBL1201130", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.61", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CC(=O)O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830581", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPIDACRINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830581, "molecule_chembl_id": "CHEMBL130880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.27", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IPIDACRINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c2c(nc3c1CCC3)CCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834738", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "> 20", "target_pref_name": "Caco-2", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4303807", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL614058", "activity_id": 18834738, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "NAFAMOSTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828993", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "EC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303820", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828993, "molecule_chembl_id": "CHEMBL302753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ambrisentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834004", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPENTAL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834004, "molecule_chembl_id": "CHEMBL441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.34", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "thiopental"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830574", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOMEGUATRIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830574, "molecule_chembl_id": "CHEMBL339133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.18", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOMEGUATRIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833355", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833355, "molecule_chembl_id": "CHEMBL3349370", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "599.67", "alogp": "5.76", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "XL765"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833908", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833908, "molecule_chembl_id": "CHEMBL3039369", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "769.97", "alogp": "6.07", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "SELAMECTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "68.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834093", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834093, "molecule_chembl_id": "CHEMBL4303285", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.30", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PICROTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)[C@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834030", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834030, "molecule_chembl_id": "CHEMBL4303537", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.36", "alogp": "-2.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "REGADENOSON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828737", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARDENAFIL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828737, "molecule_chembl_id": "CHEMBL1520", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vardenafil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5443", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828869", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828869, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cycloheximide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3911", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146637", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOXACILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146637, "molecule_chembl_id": "CHEMBL891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOXACILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150483", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOUREA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150483, "molecule_chembl_id": "CHEMBL260876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "76.12", "alogp": "-0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(N)=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963319", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZAMIFENACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963319, "molecule_chembl_id": "CHEMBL27507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.53", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "zamifenacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963214", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXIPEROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963214, "molecule_chembl_id": "CHEMBL2059304", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.42", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "oxiperomide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958938", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958938, "molecule_chembl_id": "CHEMBL513021", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.58", "alogp": "6.31", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MILTEFOSINE [5mM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958956", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958956, "molecule_chembl_id": "CHEMBL1235001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYPHENBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.158", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963315", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TALAMPANEL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963315, "molecule_chembl_id": "CHEMBL61872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "talampanel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963280", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAVISANT DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963280, "molecule_chembl_id": "CHEMBL2105715", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.38", "alogp": "1.44", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Bavisant (dihydrochloride hydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O.O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963308", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963308, "molecule_chembl_id": "CHEMBL314360", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BW-A4C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958510", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETA-CCM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958510, "molecule_chembl_id": "CHEMBL453066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BETA-CCM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1cc2c(cn1)[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960357", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960357, "molecule_chembl_id": "CHEMBL2028187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "879.86", "alogp": "6.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ERYTHROSINE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960360", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-650394", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960360, "molecule_chembl_id": "CHEMBL558642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK650394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960363", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRANEXAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960363, "molecule_chembl_id": "CHEMBL877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "157.21", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRANEXAMIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963600", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDOXUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963600, "molecule_chembl_id": "CHEMBL318153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "-1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDOXUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958394", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958394, "molecule_chembl_id": "CHEMBL4522869", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ALDOSTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145500", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145500, "molecule_chembl_id": "CHEMBL374632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Coumarin 7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958398", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYMETAZOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958398, "molecule_chembl_id": "CHEMBL762", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "260.38", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXYMETAZOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962791", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALDOXORUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962791, "molecule_chembl_id": "CHEMBL2107818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "750.76", "alogp": "0.39", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Aldoxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "101.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963429", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALMITRINE MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963429, "molecule_chembl_id": "CHEMBL3181957", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "669.78", "alogp": "4.26", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Almitrine dimesilate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958820", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "XIBENOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958820, "molecule_chembl_id": "CHEMBL347795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "251.37", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "xibenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(OCC(O)CNC(C)(C)C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962919", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(D)-SERINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962919, "molecule_chembl_id": "CHEMBL285123", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "105.09", "alogp": "-1.61", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-serine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](CO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958591", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUPIVACAINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958591, "molecule_chembl_id": "CHEMBL1200396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.90", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BUPIVACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146445", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOBETASOL PROPIONATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146445, "molecule_chembl_id": "CHEMBL1159650", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.98", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "clobetasol-propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146449", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SEROTONIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146449, "molecule_chembl_id": "CHEMBL535832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.68", "alogp": "1.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "serotonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCCc1c[nH]c2ccc(O)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146453", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAGATOSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146453, "molecule_chembl_id": "CHEMBL1236183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-(-)-Tagatose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150638, "molecule_chembl_id": "CHEMBL2139947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Wnt-C59 (C59)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146234", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146234, "molecule_chembl_id": "CHEMBL282748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.65", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GGTI298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150660", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANSHINONE IIA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150660, "molecule_chembl_id": "CHEMBL187266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.35", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tanshinone IIA (Tanshinone B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151106", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151106, "molecule_chembl_id": "CHEMBL1276946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.81", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GKT136901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146613", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146613, "molecule_chembl_id": "CHEMBL2407818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.47", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BF738735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151122", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVARACETAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151122, "molecule_chembl_id": "CHEMBL607400", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.29", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brivaracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961494", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961494, "molecule_chembl_id": "CHEMBL3941724", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "609.13", "alogp": "3.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KRCA-0008"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961213", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961213, "molecule_chembl_id": "CHEMBL502351", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.40", "alogp": "4.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML347"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961339", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961339, "molecule_chembl_id": "CHEMBL4303221", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "429.55", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "StemRegenin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8832", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961191", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOLIQUIRITIGENIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961191, "molecule_chembl_id": "CHEMBL129795", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Isoliquiritigenin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.397", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955971", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIMONACIC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955971, "molecule_chembl_id": "CHEMBL358722", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "133.17", "alogp": "-0.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DL-Thiaproline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CSCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961160", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORTODOXONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961160, "molecule_chembl_id": "CHEMBL253144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.47", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "cortodoxone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8403", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955866", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955866, "molecule_chembl_id": "CHEMBL4567874", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.44", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID54749203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[2H]C([2H])([2H])c1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960644", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SELEXIPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960644, "molecule_chembl_id": "CHEMBL238804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "496.63", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Selexipag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960646", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RILUZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960646, "molecule_chembl_id": "CHEMBL744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.20", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RILUZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.161", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2ccc(OC(F)(F)F)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960310", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DESOXYPEGANINE HYDROCHLORIDE HYDRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960310, "molecule_chembl_id": "CHEMBL2163792", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.71", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Desoxypeganine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O.c1ccc2c(c1)CN1CCCC1=N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958613", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958613, "molecule_chembl_id": "CHEMBL2360601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eperisone HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.445", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961469", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OSALMID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961469, "molecule_chembl_id": "CHEMBL389507", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Osalmid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(O)cc1)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962795", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GOLVATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962795, "molecule_chembl_id": "CHEMBL3039525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "633.70", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Golvatinib (E7050)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145631", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KU-55933", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145631, "molecule_chembl_id": "CHEMBL222102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.51", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KU-55933"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958990", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958990, "molecule_chembl_id": "CHEMBL2021342", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "445.44", "alogp": "0.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "tetrahydrofolic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.449", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151184", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MK-0752", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151184, "molecule_chembl_id": "CHEMBL4205422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.91", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MK-0752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146681", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146681, "molecule_chembl_id": "CHEMBL1377788", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-Deoxy-D-glucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151055", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MANGIFERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151055, "molecule_chembl_id": "CHEMBL464825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.34", "alogp": "-0.72", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "MANGIFERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150544", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150544, "molecule_chembl_id": "CHEMBL3186128", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.87", "alogp": "4.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KY02111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958847", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958847, "molecule_chembl_id": "CHEMBL198582", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.47", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "sirtinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.201", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960338", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960338, "molecule_chembl_id": "CHEMBL200027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.64", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IKK-16"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958922", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958922, "molecule_chembl_id": "CHEMBL1378945", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.55", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MR-16728"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCCCCC1)C(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963298", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963298, "molecule_chembl_id": "CHEMBL1356199", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "671.05", "alogp": "6.00", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-583340"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963341", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963341, "molecule_chembl_id": "CHEMBL4303546", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "578.85", "alogp": "4.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SCR-1481B1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(Oc2ccc(NC(=O)c3cn(COP(=O)(O)O)cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151013", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151013, "molecule_chembl_id": "CHEMBL257626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(RS)-MCPG"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145746", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOROLFINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145746, "molecule_chembl_id": "CHEMBL489411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.52", "alogp": "4.66", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOROLFINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963359", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963359, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145893", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALUTEOLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145893, "molecule_chembl_id": "CHEMBL233929", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.38", "alogp": "-0.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Luteoloside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145989", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "2-METHOXYESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145989, "molecule_chembl_id": "CHEMBL299613", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.41", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-methoxyestradiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958706", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958706, "molecule_chembl_id": "CHEMBL3039307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "664.44", "alogp": "-3.02", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NADIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958885", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALEXIDINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958885, "molecule_chembl_id": "CHEMBL554041", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.73", "alogp": "4.26", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Alexidine dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03027", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963362", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963362, "molecule_chembl_id": "CHEMBL210833", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.44", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-359"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963367", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TANESPIMYCIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963367, "molecule_chembl_id": "CHEMBL109480", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "585.70", "alogp": "2.54", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "17-AAG (Tanespimycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.915", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145756", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145756, "molecule_chembl_id": "CHEMBL3940985", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "4.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-H-106"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151161", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPARSENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151161, "molecule_chembl_id": "CHEMBL539423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "592.76", "alogp": "6.54", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "SPARSENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961115", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-37822681", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961115, "molecule_chembl_id": "CHEMBL3234237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.34", "alogp": "3.85", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "JNJ-37822681"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150880", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150880, "molecule_chembl_id": "CHEMBL2159495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.23", "alogp": "5.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "P5091 (P005091)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146384", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146384, "molecule_chembl_id": "CHEMBL3617053", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.56", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ICA 121431"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149938", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACLITAXEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149938, "molecule_chembl_id": "CHEMBL428647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "853.92", "alogp": "3.74", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Taxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154394", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154394, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10160.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147414", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-406", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147414, "molecule_chembl_id": "CHEMBL475251", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.46", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TAMATINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153720", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CILENGITIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153720, "molecule_chembl_id": "CHEMBL429876", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.67", "alogp": "-2.18", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Cilengitide trifluoroacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154358", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154358, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149883", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OZANIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149883, "molecule_chembl_id": "CHEMBL3707247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.47", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ozanimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153865", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153865, "molecule_chembl_id": "CHEMBL1375018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.37", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ER-27319 maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(=O)c3ccccc3n(CCCN)c2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153873", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELLIPTECINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153873, "molecule_chembl_id": "CHEMBL123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ellipticine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148797", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148797, "molecule_chembl_id": "CHEMBL1289316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "577.60", "alogp": "3.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "INCB3344"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153922", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153922, "molecule_chembl_id": "CHEMBL1199539", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.69", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALOFUGINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152520", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152520, "molecule_chembl_id": "CHEMBL3392223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.50", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TIC10 analogue"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1CN1CC2=C(CCN(Cc3ccccc3)C2=O)N2CCN=C12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIACITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147622, "molecule_chembl_id": "CHEMBL272557", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.11", "alogp": "-0.98", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Fiacitabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152856", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152856, "molecule_chembl_id": "CHEMBL261237", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.35", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEK1-2-inhibitor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152302, "molecule_chembl_id": "CHEMBL362051", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.51", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARC-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152871", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "8-AZAGUANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152871, "molecule_chembl_id": "CHEMBL374107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.12", "alogp": "-0.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azaguanine-8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2[nH]nnc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHACIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149511, "molecule_chembl_id": "CHEMBL1997663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.54", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Etacizin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(CC)CC)c1ccccc1S2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149567", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149567, "molecule_chembl_id": "CHEMBL14276", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.39", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-228357"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152681", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152681, "molecule_chembl_id": "CHEMBL394875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.19", "alogp": "-0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-methylcysteine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149884", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZEMETOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149884, "molecule_chembl_id": "CHEMBL3414621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "572.75", "alogp": "4.73", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tazemetostat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154389", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154389, "molecule_chembl_id": "CHEMBL527026", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "539.45", "alogp": "6.16", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147415", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147415, "molecule_chembl_id": "CHEMBL506999", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.67", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-12962"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)c1ccc(N2CCNCC2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150200", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150200, "molecule_chembl_id": "CHEMBL280828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "181.15", "alogp": "0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "homoquinolinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cc1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153978", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153978, "molecule_chembl_id": "CHEMBL1620899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.62", "alogp": "5.36", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD120663"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1OCc1n(CC(=O)OC2CC(C)CCC2C(C)C)c2ccccc2[n+]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153997", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SGI-1776", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153997, "molecule_chembl_id": "CHEMBL1952329", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGI-1776 free base"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154455", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MARDEPODECT", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154455, "molecule_chembl_id": "CHEMBL562318", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "392.46", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-2545920"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154392", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154392, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10880.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154461", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154461, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2670.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148920", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYLTUBOCURARINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148920, "molecule_chembl_id": "CHEMBL2105841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "723.74", "alogp": "7.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Metocurine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152134", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152134, "molecule_chembl_id": "CHEMBL1428763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.29", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-270846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cn2cnc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153574", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMITIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153574, "molecule_chembl_id": "CHEMBL82293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.43", "alogp": "5.55", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PALMITIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149578", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149578, "molecule_chembl_id": "CHEMBL45827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.52", "alogp": "6.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PD-161570"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150896", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150896, "molecule_chembl_id": "CHEMBL142009", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-OX2-29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccncc1)C(C)(C)C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150846", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOBAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150846, "molecule_chembl_id": "CHEMBL239800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.69", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "fenobam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955955", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EXALAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955955, "molecule_chembl_id": "CHEMBL1405973", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Exalamide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1ccccc1C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964273", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.38", "bao_label": "assay format", "molecule_pref_name": "BRONOPOL", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964273, "molecule_chembl_id": "CHEMBL1408862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.99", "alogp": "-0.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRONOPOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "420.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])C(Br)(CO)CO", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960764", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960764, "molecule_chembl_id": "CHEMBL466253", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.28", "alogp": "3.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU0238429"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.446", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963965", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHA-665752", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963965, "molecule_chembl_id": "CHEMBL450786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "641.62", "alogp": "6.11", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "PHA-665752"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963574", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CORTISONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963574, "molecule_chembl_id": "CHEMBL1650", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.49", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CORTISONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959345", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FURALTADONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959345, "molecule_chembl_id": "CHEMBL1189513", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.29", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FURALTADONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963951", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SU-9516", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963951, "molecule_chembl_id": "CHEMBL258805", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SU9516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959418", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROXERUTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959418, "molecule_chembl_id": "CHEMBL3182320", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "742.68", "alogp": "-2.69", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "TROXERUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEGAFUR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955511, "molecule_chembl_id": "CHEMBL20883", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.17", "alogp": "-0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluorofur"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n(C2CCCO2)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147441", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147441, "molecule_chembl_id": "CHEMBL34730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.73", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-chloromelatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152459", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152459, "molecule_chembl_id": "CHEMBL478284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "483.97", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SX-011"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151586", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONVANSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151586, "molecule_chembl_id": "CHEMBL1738758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.53", "alogp": "1.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NMS-1286937"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147033", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147033, "molecule_chembl_id": "CHEMBL1173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.98", "alogp": "-0.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Iodouracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cc(I)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147051", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENACYL CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147051, "molecule_chembl_id": "CHEMBL105712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.60", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENACYL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCl)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152792", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABRAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152792, "molecule_chembl_id": "CHEMBL2028663", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.57", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dabrafenib (GSK2118436)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152799", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152799, "molecule_chembl_id": "CHEMBL279564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PYRENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2ccc3cccc4ccc(c1)c2c34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148607", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLNAFTATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148607, "molecule_chembl_id": "CHEMBL83668", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "4.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLNAFTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148608", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148608, "molecule_chembl_id": "CHEMBL1214066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "515.70", "alogp": "2.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "UNC0321"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153100", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153100, "molecule_chembl_id": "CHEMBL3039186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.47", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRUCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153123", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153123, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "bosutinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148621", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIZOCILPINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148621, "molecule_chembl_id": "CHEMBL344151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dizocilpine-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12N[C@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153350", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153350, "molecule_chembl_id": "CHEMBL3182437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.49", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-323"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153688", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINACRINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153688, "molecule_chembl_id": "CHEMBL2105615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.92", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "QUINACRINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961281", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961281, "molecule_chembl_id": "CHEMBL495498", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.29", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MB05032"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961100", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRAVASTATIN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961100, "molecule_chembl_id": "CHEMBL690", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "446.52", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRAVASTATIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963463", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD1981", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963463, "molecule_chembl_id": "CHEMBL1914489", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "388.88", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD1981"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.129", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958862", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDAGLITAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958862, "molecule_chembl_id": "CHEMBL3990804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "464.57", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "edaglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958833", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958833, "molecule_chembl_id": "CHEMBL313120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "licarbazepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963470", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963470, "molecule_chembl_id": "CHEMBL292477", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-693403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.259", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963321", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISMUTH SUBSALICYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963321, "molecule_chembl_id": "CHEMBL1120", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.09", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "Bismuth Subsalicylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958721", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBENICILLIN DISODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958721, "molecule_chembl_id": "CHEMBL606260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "422.37", "alogp": "0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBENICILLIN DISODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963329", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SGI-1776", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963329, "molecule_chembl_id": "CHEMBL1952329", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SGI-1776 free base"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.458", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958365", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958365, "molecule_chembl_id": "CHEMBL1378094", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.32", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-307054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958870", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZALDARIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958870, "molecule_chembl_id": "CHEMBL1474352", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zaldaride maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963305", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963305, "molecule_chembl_id": "CHEMBL4303647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "250.43", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IEM 1754 dihydrobroMide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-12.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCNCC12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150602", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150602, "molecule_chembl_id": "CHEMBL4303499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.53", "alogp": "1.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CC4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146215", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHOCARBAMOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146215, "molecule_chembl_id": "CHEMBL1201117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHOCARBAMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)COC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146157", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KAEMPFERIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146157, "molecule_chembl_id": "CHEMBL40919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KAEMPFERIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145509", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145509, "molecule_chembl_id": "CHEMBL583194", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.60", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "54.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958482", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPIPERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958482, "molecule_chembl_id": "CHEMBL267930", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.48", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPIPERONE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-20.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958201, "molecule_chembl_id": "CHEMBL1369924", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.37", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-335445"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963722", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAGATOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963722, "molecule_chembl_id": "CHEMBL1236183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.16", "alogp": "-3.38", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "D-(-)-Tagatose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.133", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963728", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEPOXALIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963728, "molecule_chembl_id": "CHEMBL316040", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TEPOXALIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-93.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955612", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYCLOTHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955612, "molecule_chembl_id": "CHEMBL1577", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.24", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methyclothiazide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963820", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963820, "molecule_chembl_id": "CHEMBL1612198", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.58", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GBR-12783"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963843", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-255283", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963843, "molecule_chembl_id": "CHEMBL15766", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.46", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY255283"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961501, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Efavirenz"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956343", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGM-097", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956343, "molecule_chembl_id": "CHEMBL3601398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "659.27", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "NVP-CGM097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961136", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGP-53353", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961136, "molecule_chembl_id": "CHEMBL7939", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-53353"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.207", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960903", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960903, "molecule_chembl_id": "CHEMBL1766779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VE-821"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5459", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956420", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956420, "molecule_chembl_id": "CHEMBL2407818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.47", "alogp": "3.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BF738735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960925", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960925, "molecule_chembl_id": "CHEMBL1255781", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.35", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB-203186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960847", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIGUSTRAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960847, "molecule_chembl_id": "CHEMBL303697", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tetramethylpyrazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(C)c(C)nc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151857", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONVANSERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151857, "molecule_chembl_id": "CHEMBL1738758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.53", "alogp": "1.92", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "NMS-1286937"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153116", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153116, "molecule_chembl_id": "CHEMBL1208151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "459.46", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 87877"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150013", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIPECURONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150013, "molecule_chembl_id": "CHEMBL1200722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "762.71", "alogp": "3.63", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "pipecuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154329", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.08", "bao_label": "organism-based format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154329, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRICLOCARBAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150263", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150263, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAZOBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154566", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154566, "molecule_chembl_id": "CHEMBL4076247", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "330.39", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-6640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154380", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154380, "molecule_chembl_id": "CHEMBL564131", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "401.90", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cathepsin Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148455", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148455, "molecule_chembl_id": "CHEMBL37161", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MMV003143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148461", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148461, "molecule_chembl_id": "CHEMBL4303676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1046.20", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Angiotensin II human"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148464", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASUNAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148464, "molecule_chembl_id": "CHEMBL2105735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "748.30", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Asunaprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152971", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152971, "molecule_chembl_id": "CHEMBL3774960", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "426.15", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "wiskostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152980", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LICOFELONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152980, "molecule_chembl_id": "CHEMBL300982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Licofelone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153841", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153841, "molecule_chembl_id": "CHEMBL73800", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.68", "alogp": "7.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV019555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149234", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DITIOCARB SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149234, "molecule_chembl_id": "CHEMBL107217", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.27", "alogp": "1.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ditiocarb-sodium-trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=S)[S-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149240", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RESORCINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149240, "molecule_chembl_id": "CHEMBL24147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "110.11", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153903", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153903, "molecule_chembl_id": "CHEMBL343732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.21", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAX-channel-blocker"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153901", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153901, "molecule_chembl_id": "CHEMBL2385591", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LDN-212854"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148191", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VITAMIN E", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148191, "molecule_chembl_id": "CHEMBL47", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.72", "alogp": "8.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vitamin E"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149216", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149216, "molecule_chembl_id": "CHEMBL434045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "chromanol-293B-(-)-[3R;4S]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149999", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149999, "molecule_chembl_id": "CHEMBL2017291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.45", "alogp": "4.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "I-BET151 (GSK1210151A)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154610", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154610, "molecule_chembl_id": "CHEMBL29197", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "360.21", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD153035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154233", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.38", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154233, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4140.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145703", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145703, "molecule_chembl_id": "CHEMBL1164316", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.22", "alogp": "2.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119581"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=c1[nH]nc(-c2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146120", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146120, "molecule_chembl_id": "CHEMBL3186509", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.33", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-8380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150785", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOPROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150785, "molecule_chembl_id": "CHEMBL1297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963228", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEMATOXYLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963228, "molecule_chembl_id": "CHEMBL477197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.28", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hematoxylin (Hydroxybrazilin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152225", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152225, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BMS-599626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152782", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRINOTECAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152782, "molecule_chembl_id": "CHEMBL3989514", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "677.19", "alogp": "4.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "irinotecan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENOFIBRIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147808, "molecule_chembl_id": "CHEMBL981", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.76", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fenofibric_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148973", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHYLERGONOVINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148973, "molecule_chembl_id": "CHEMBL1200843", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "methylergometrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153479", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIFLUPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153479, "molecule_chembl_id": "CHEMBL1201102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.89", "alogp": "5.26", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TRIFLUPROMAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147188", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147188, "molecule_chembl_id": "CHEMBL3770173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OF-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145549", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145549, "molecule_chembl_id": "CHEMBL3897393", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.48", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-272"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2[C@H]2CCOC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959570", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AUROTHIOGLUCOSE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959570, "molecule_chembl_id": "CHEMBL2354773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "aurothioglucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151715", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151715, "molecule_chembl_id": "CHEMBL2333365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL388"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)ccc(S(C)(=O)=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963203, "molecule_chembl_id": "CHEMBL1738731", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "340.39", "alogp": "3.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-BVU972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956302, "molecule_chembl_id": "CHEMBL496594", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "553.47", "alogp": "6.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cot inhibitor-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cnc2c(Cl)cc(NCc3cn(CCN4CCCCCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963594", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AES-103", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963594, "molecule_chembl_id": "CHEMBL185885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-(Hydroxymethyl)furan-2-carbaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.322", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959521", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959521, "molecule_chembl_id": "CHEMBL543113", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.88", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-alpha-bis-(4-fluorophenyl)-methoxytropane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GAMOLENIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960499, "molecule_chembl_id": "CHEMBL464982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.44", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "gamma-linolenic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964114", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMAZENIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964114, "molecule_chembl_id": "CHEMBL407", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.29", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FMZ"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147519", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147519, "molecule_chembl_id": "CHEMBL1229535", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.89", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIK-93"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962767", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIANHYDROGALACTITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962767, "molecule_chembl_id": "CHEMBL3137322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.14", "alogp": "-1.49", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VAL-083"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3891", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@H]([C@@H]1CO1)[C@@H](O)[C@H]1CO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963789", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963789, "molecule_chembl_id": "CHEMBL3326251", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.13", "alogp": "4.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UNC2025 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956430", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROPISETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956430, "molecule_chembl_id": "CHEMBL56564", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tropisetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961369", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FILANESIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961369, "molecule_chembl_id": "CHEMBL2347655", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Filanesib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960528", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960528, "molecule_chembl_id": "CHEMBL1255756", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.68", "alogp": "0.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "melevodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145676", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145676, "molecule_chembl_id": "CHEMBL4525833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "958.24", "alogp": "6.20", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "EVEROLIMUS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C\\1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960280", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SEMUSTINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960280, "molecule_chembl_id": "CHEMBL12948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "247.73", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SEMUSTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.217", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC(NC(=O)N(CCCl)N=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152028", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROTIGOTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152028, "molecule_chembl_id": "CHEMBL1303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.48", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rotigotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956385", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956385, "molecule_chembl_id": "CHEMBL3785703", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.40", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK481"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959373", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959373, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960306", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DANIRIXIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960306, "molecule_chembl_id": "CHEMBL3039531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.91", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Danirixin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959361", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959361, "molecule_chembl_id": "CHEMBL4303318", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Simeprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@H]3CC4C(=O)N(C)CCCC/C=C\\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959610", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959610, "molecule_chembl_id": "CHEMBL1688966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.23", "alogp": "-2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Allopurinol riboside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964167", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964167, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "silver-sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147512", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147512, "molecule_chembl_id": "CHEMBL1563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.99", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961284", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GIMERACIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961284, "molecule_chembl_id": "CHEMBL1730601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "145.55", "alogp": "1.15", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gimeracil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c(Cl)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959511, "molecule_chembl_id": "CHEMBL2164371", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.41", "alogp": "3.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NAV-26"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "35.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(OC(F)(F)F)cc1)C1c2ccccc2C(=O)N1C1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959667", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959667, "molecule_chembl_id": "CHEMBL1710950", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.53", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHLORALOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959490", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959490, "molecule_chembl_id": "CHEMBL1297", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.27", "alogp": "3.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963976", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRAPIDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963976, "molecule_chembl_id": "CHEMBL132767", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.26", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trapidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.249", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)c1cc(C)nc2ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961625", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961625, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacidipine (Lacipil; Motens)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.861", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960320", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RABUSERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960320, "molecule_chembl_id": "CHEMBL3039517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.31", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "LY2603618 (IC-83)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955929", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955929, "molecule_chembl_id": "CHEMBL4303520", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.25", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bromantan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Brc1ccc(NC2C3CC4CC(C3)CC2C4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836398", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AXITINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836398, "molecule_chembl_id": "CHEMBL1289926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.48", "alogp": "4.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "6"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3944", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836400", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHENAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836400, "molecule_chembl_id": "CHEMBL1201270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "140.19", "alogp": "-1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methenamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2305", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1N2CN3CN1CN(C2)C3", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831539", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW843682X", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831539, "molecule_chembl_id": "CHEMBL514499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "4.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-843682X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831600", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETAPAMULIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831600, "molecule_chembl_id": "CHEMBL1658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.78", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "RETAPAMULIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831918", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PONATINIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831918, "molecule_chembl_id": "CHEMBL1171837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "532.57", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "PONATINIB (AP24534)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831424", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BICIFADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831424, "molecule_chembl_id": "CHEMBL544862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.72", "alogp": "1.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BICIFADINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C23CNCC2C3)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831428, "molecule_chembl_id": "CHEMBL215919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.52", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DRF053-(R)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836300", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IPRIFLAVONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836300, "molecule_chembl_id": "CHEMBL165790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.32", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ipriflavone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1596", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831431", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831431, "molecule_chembl_id": "CHEMBL488910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.58", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KO 143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836309", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JOSAMYCIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836309, "molecule_chembl_id": "CHEMBL224436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "josamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08039", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836310", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KETOROLAC", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836310, "molecule_chembl_id": "CHEMBL469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ketorolac"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836369", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACOTIAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836369, "molecule_chembl_id": "CHEMBL2107308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "541.07", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Acotiamide hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02159", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl.O.O.O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831506", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROCYANIDIN B1", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831506, "molecule_chembl_id": "CHEMBL504937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "578.53", "alogp": "3.00", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "PROCYANIDIN B2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836350", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAFTOPIDIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836350, "molecule_chembl_id": "CHEMBL142635", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "3.41", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Naftopidil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2462", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827320", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.63", "bao_label": "organism-based format", "molecule_pref_name": "AMODIAQUINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827320, "molecule_chembl_id": "CHEMBL1357648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.82", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Amodiaquine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838971", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838971, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.44", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827323", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.38", "bao_label": "organism-based format", "molecule_pref_name": "CHLOROQUINE PHOSPHATE", "assay_chembl_id": "CHEMBL4303823", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827323, "molecule_chembl_id": "CHEMBL1326", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.87", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chloroquine Phosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "42030.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832028", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOBUNOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832028, "molecule_chembl_id": "CHEMBL1201177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.85", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOBUNOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831453", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831453, "molecule_chembl_id": "CHEMBL1603534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.91", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAMBUTEROL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831900", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEOHESPERIDIN DIHYDROCHALCONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831900, "molecule_chembl_id": "CHEMBL1159645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "612.58", "alogp": "-1.34", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "NEOHESPERIDIN DIHYDROCHALCONE (NHDC)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "57.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836145", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NARASIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836145, "molecule_chembl_id": "CHEMBL2104423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "765.04", "alogp": "6.43", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "narasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02006", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836155", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NILOTINIB", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836155, "molecule_chembl_id": "CHEMBL255863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.53", "alogp": "6.36", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Nilotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831147", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831147, "molecule_chembl_id": "CHEMBL391586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.20", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-PIM-1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830938", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ELVITEGRAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830938, "molecule_chembl_id": "CHEMBL204656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "447.89", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ELVITEGRAVIR (GS-9137)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836033", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLOXATONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836033, "molecule_chembl_id": "CHEMBL18116", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "207.23", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "toloxatone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02449", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831286", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831286, "molecule_chembl_id": "CHEMBL257119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.59", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC-23766"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831296", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MLN-8054", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831296, "molecule_chembl_id": "CHEMBL259084", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.87", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "MLN8054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827227", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BERBAMINE", "assay_chembl_id": "CHEMBL4303813", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL391", "activity_id": 18827227, "molecule_chembl_id": "CHEMBL504323", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "608.74", "alogp": "6.86", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Berbamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "50000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827841", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827841, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "(L) Thyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03297", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828011", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPOFOL", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828011, "molecule_chembl_id": "CHEMBL526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.27", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Propofol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3969", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc(C(C)C)c1O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836039", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOSUFLOXACIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836039, "molecule_chembl_id": "CHEMBL273348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.35", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tosufloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08835", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836287", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFOSFAMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836287, "molecule_chembl_id": "CHEMBL1024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ifosfamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08977", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(NCCCl)OCCCN1CCCl", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831419", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-HIGENAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831419, "molecule_chembl_id": "CHEMBL501778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "271.32", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6,7-DIHYDROXY-1-(4-HYDROXYBENZYL)-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-15.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831366", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KUROMANIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831366, "molecule_chembl_id": "CHEMBL257839", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.39", "alogp": "0.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "KUROMANIN (CHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836245", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836245, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "fluocinonide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1388", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836246", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOXETINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836246, "molecule_chembl_id": "CHEMBL41", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluoxetine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07098", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831375", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6-O-BENZYLGUANINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831375, "molecule_chembl_id": "CHEMBL407874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "O6-BENZYLGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(OCc2ccccc2)c2nc[nH]c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835743", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835743, "molecule_chembl_id": "CHEMBL643", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.43", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "promethazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1366", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834818", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "REMDESIVIR", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834818, "molecule_chembl_id": "CHEMBL4065616", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "602.59", "alogp": "2.31", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "REMDESIVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3395.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834823", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834823, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829691", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METAPROTERENOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829691, "molecule_chembl_id": "CHEMBL776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.26", "alogp": "1.13", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METAPROTERENOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1cc(O)cc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835660", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835660, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydrochlorothiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03672", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835816", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VOXELOTOR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835816, "molecule_chembl_id": "CHEMBL4101807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.38", "alogp": "3.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Voxelotor(GBT440, GTx011)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1638", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834499, "molecule_chembl_id": "CHEMBL4303395", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "170.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PINANEDIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H]2C[C@H](O)[C@](C)(O)[C@@H]1C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829800", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAGOLIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829800, "molecule_chembl_id": "CHEMBL290962", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.57", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINAGOLIDE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834507", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834507, "molecule_chembl_id": "CHEMBL4303372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "0.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENYLACETYLGLUTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830069, "molecule_chembl_id": "CHEMBL304461", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.38", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCLAREOLIDE (NORAMBREINOLIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OC(=O)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830111", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SARCOSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830111, "molecule_chembl_id": "CHEMBL304383", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "89.09", "alogp": "-0.71", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SARCOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NB-ACETYLTRYPTAMINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829701, "molecule_chembl_id": "CHEMBL33171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-ACETYLTRYPTAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829719, "molecule_chembl_id": "CHEMBL285742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "-2.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830013", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830013, "molecule_chembl_id": "CHEMBL1319741", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.26", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIHYDRO-beta-ERYTHROIDINE.HBR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834848", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "DROTAVERINE", "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834848, "molecule_chembl_id": "CHEMBL551978", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "397.52", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "DROTAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(/C=C2\\NCCc3cc(OCC)c(OCC)cc32)cc1OCC", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830482", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DESLORATADINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830482, "molecule_chembl_id": "CHEMBL1172", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.83", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DESLORATIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830483", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPIDIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830483, "molecule_chembl_id": "CHEMBL345124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "668.41", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PROPIDIUM-IODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[I-].[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830289", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RELCOVAPTAN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830289, "molecule_chembl_id": "CHEMBL419667", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "620.51", "alogp": "3.30", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "RELCOVAPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-30.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830501, "molecule_chembl_id": "CHEMBL331465", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMH4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838859", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "pCC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "U-SHAPED RESPONSE TEST AT LOWER CONC.", "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4303086", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303840", "activity_id": 18838859, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Luminespib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.17", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": "Nature", "uo_units": null, "assay_description": "Cytotoxicity of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828209", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828209, "molecule_chembl_id": "CHEMBL3188504", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.94", "alogp": "3.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Diatrizoic acid dihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7111", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.O.O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832915", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPROBEMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832915, "molecule_chembl_id": "CHEMBL2104298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.77", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EPROBEMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831647", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831647, "molecule_chembl_id": "CHEMBL456145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "176.18", "alogp": "0.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1Cc2[nH]nc(-c3nn[nH]n3)c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828224", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828224, "molecule_chembl_id": "CHEMBL1200885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.82", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alosetron hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.152", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831830", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CUDC-101", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831830, "molecule_chembl_id": "CHEMBL598797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CUDC-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828232", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICLABENDAZOLE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828232, "molecule_chembl_id": "CHEMBL1086440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.67", "alogp": "6.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclabendazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1948", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838967", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE/INCONCLUSIVE INCONCLUSIVE CELL VIABILITY AT 20 UM", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.04", "bao_label": "organism-based format", "molecule_pref_name": "PIMOZIDE", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838967, "molecule_chembl_id": "CHEMBL1423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.56", "alogp": "5.86", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Pimozide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91201.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836386", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMECLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836386, "molecule_chembl_id": "CHEMBL523299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.50", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Umeclidinium bromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1319", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832807", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832807, "molecule_chembl_id": "CHEMBL2005186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.52", "alogp": "4.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SLX-2119"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828107", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(S)-PROPRANOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828107, "molecule_chembl_id": "CHEMBL545328", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.81", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(S)-(-)-Propranolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.068", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@H](O)COc1cccc2ccccc12.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831612", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOSAMPRENAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831612, "molecule_chembl_id": "CHEMBL1664", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.62", "alogp": "2.52", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "FOSAMPRENAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831614", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831614, "molecule_chembl_id": "CHEMBL483688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "529.02", "alogp": "2.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PSB-603"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836129", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MITOXANTRONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836129, "molecule_chembl_id": "CHEMBL58", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.49", "alogp": "-0.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Mitoxantrone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05299", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831260", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-SUPROFEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831260, "molecule_chembl_id": "CHEMBL253765", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "260.31", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SUPROFEN (PROFENAL)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831734", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALAPIRAVIR", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831734, "molecule_chembl_id": "CHEMBL550936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.51", "alogp": "1.70", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "BALAPIRAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOXAVERINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832928, "molecule_chembl_id": "CHEMBL2105060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.39", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "MOXAVERINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836170", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPOXYCAINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836170, "molecule_chembl_id": "CHEMBL1195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "propoxycaine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0698", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836178", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836178, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "riboflavin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1705", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831309", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831309, "molecule_chembl_id": "CHEMBL260015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2109761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833044", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833044, "molecule_chembl_id": "CHEMBL2138625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.01", "alogp": "4.67", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AV-412 (FREE BASE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833048", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMG-900", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833048, "molecule_chembl_id": "CHEMBL2140408", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.59", "alogp": "6.64", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "AMG 900"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828320", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFSULODIN SODIUM", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828320, "molecule_chembl_id": "CHEMBL1590946", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.54", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefsulodin sodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832724", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832724, "molecule_chembl_id": "CHEMBL1874002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "702.90", "alogp": "4.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SULBUTIAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=C(/CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(\\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832448", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832448, "molecule_chembl_id": "CHEMBL1504776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.87", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID-2011756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "96.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827306", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "OXYCLOZANIDE", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827306, "molecule_chembl_id": "CHEMBL2105450", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "401.46", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Oxyclozanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.49", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838956", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "~", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEPSTATIN", "assay_chembl_id": "CHEMBL4303083", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL4303835", "activity_id": 18838956, "molecule_chembl_id": "CHEMBL296588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.90", "alogp": "1.47", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Pepstatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "776.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C", "document_journal": "Nature", "uo_units": "UO_0000065", "assay_description": "IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832728", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACTOLISIB", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832728, "molecule_chembl_id": "CHEMBL1879463", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.55", "alogp": "5.89", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "DACTOLISIB (BEZ235, NVP-BEZ235)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "91.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831997", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831997, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "DUTASTERIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831387", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TG100-801", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831387, "molecule_chembl_id": "CHEMBL403989", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "580.09", "alogp": "7.09", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "TG 100801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836260", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUSIDIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836260, "molecule_chembl_id": "CHEMBL374975", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.72", "alogp": "5.67", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Fusidic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09513", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\\CCC=C(C)C)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831394", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOPHANATE METHYL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831394, "molecule_chembl_id": "CHEMBL487187", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.40", "alogp": "1.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "THIOPHANATE METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831395", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACTINOMYCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831395, "molecule_chembl_id": "CHEMBL1554", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1255.44", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Dactinomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831405", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GENIPIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831405, "molecule_chembl_id": "CHEMBL459016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GENIPIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836277", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HOMATROPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836277, "molecule_chembl_id": "CHEMBL1618018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "homatropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09594", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836282", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYOSCYAMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836282, "molecule_chembl_id": "CHEMBL1331216", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.37", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "hyoscyamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0469", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831520", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOTHYROXINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831520, "molecule_chembl_id": "CHEMBL1624", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "776.87", "alogp": "4.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "(L) Thyroxine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831521", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXYBENZONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831521, "molecule_chembl_id": "CHEMBL1625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.25", "alogp": "2.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "2-HYDROXY-4-METHOXY-BENZOPHENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)c2ccccc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831524", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831524, "molecule_chembl_id": "CHEMBL494502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.28", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AC-264613"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C(=N\\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836396", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMETHASONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836396, "molecule_chembl_id": "CHEMBL632", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.47", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betamethasone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07895", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830964", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830964, "molecule_chembl_id": "CHEMBL411221", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.40", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU29"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830883", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABACAVIR SULFATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830883, "molecule_chembl_id": "CHEMBL1200619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.42", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABACAVIR SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831171", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831171, "molecule_chembl_id": "CHEMBL237830", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "290.37", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WZ 811"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831173", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHENODIOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831173, "molecule_chembl_id": "CHEMBL240597", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHENODEOXYCHOLIC ACID"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831413", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831413, "molecule_chembl_id": "CHEMBL457530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "-0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ASYMMETRICAL-DIMETHYLARGININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=N)NCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831422", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACARBOSE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831422, "molecule_chembl_id": "CHEMBL1566", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "645.61", "alogp": "-8.56", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "ACARBOSE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836572", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "N=2 (0.212635467,-0.00776702)", "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOMETHACIN", "assay_chembl_id": "CHEMBL4303811", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836572, "molecule_chembl_id": "CHEMBL6", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Indo"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307520", "assay_cell_type": "Vero", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1024", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836049", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIHEXYPHENIDYL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836049, "molecule_chembl_id": "CHEMBL1490", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "301.47", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "trihexyphenidyl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831421, "molecule_chembl_id": "CHEMBL460472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "4.71", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMG458"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836516", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836516, "molecule_chembl_id": "CHEMBL1628690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.38", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Varenicline Tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1517", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N/C(=N/C#N)Nc1cccc2ncccc12)c1ccccc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832911", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINOCTRAMIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832911, "molecule_chembl_id": "CHEMBL2104186", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINOCTRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828359", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828359, "molecule_chembl_id": "CHEMBL1530287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.82", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Scopolamine hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1279", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828812", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOLIC ACID", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828812, "molecule_chembl_id": "CHEMBL1622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.40", "alogp": "-0.04", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Folic acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02238", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829284", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFTIZOXIME SODIUM", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829284, "molecule_chembl_id": "CHEMBL1201019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.39", "alogp": "-0.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFTIZOXIME SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833840", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833840, "molecule_chembl_id": "CHEMBL274789", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.37", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IODODEXETIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(I)cc3)CC2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835693", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BARNIDIPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835693, "molecule_chembl_id": "CHEMBL2103761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.54", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "barnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.001023", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829347", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLINAFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829347, "molecule_chembl_id": "CHEMBL278255", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.79", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CLINAFLOXACIN (PD127391)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833973", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SODIUM ASCORBATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833973, "molecule_chembl_id": "CHEMBL591665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.11", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "SODIUM ASCORBATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829140", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829140, "molecule_chembl_id": "CHEMBL1256014", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.69", "alogp": "-1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-NAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-].Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835855", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFAZIMINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835855, "molecule_chembl_id": "CHEMBL1292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.41", "alogp": "7.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clofazimine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5936", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835856", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOFOCTOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835856, "molecule_chembl_id": "CHEMBL1476605", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.34", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Clofoctol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3255", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835734", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRAMIPEXOLE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835734, "molecule_chembl_id": "CHEMBL301265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.33", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pramipexole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02328", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN[C@H]1CCc2nc(N)sc2C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830504", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830504, "molecule_chembl_id": "CHEMBL118109", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TYRPHOSTIN-AG-825"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C(\\C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835095", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835095, "molecule_chembl_id": "CHEMBL4303435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "155.20", "alogp": "-0.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Scopine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.127", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC(O)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830586", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVANICLINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830586, "molecule_chembl_id": "CHEMBL132966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RJR 2403 OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830512", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIXANTHOGEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830512, "molecule_chembl_id": "CHEMBL331743", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "242.41", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIXANTHOGEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=S)SSC(=S)OCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835222", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLANDELATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835222, "molecule_chembl_id": "CHEMBL1480987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cyclandelate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1398", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835805", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835805, "molecule_chembl_id": "CHEMBL2105616", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.25", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spaglumic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2385", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835728", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PITAVASTATIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835728, "molecule_chembl_id": "CHEMBL1201753", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.47", "alogp": "4.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "pitavastatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835731", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POLIDOCANOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835731, "molecule_chembl_id": "CHEMBL1231723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "582.82", "alogp": "4.05", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "polidocanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.154", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956798", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLIOQUINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956798, "molecule_chembl_id": "CHEMBL497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.50", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLIOQUINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(Cl)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956860", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GANETESPIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956860, "molecule_chembl_id": "CHEMBL2103879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.41", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "GANETESPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956863", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALBOCICLIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956863, "molecule_chembl_id": "CHEMBL189963", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "447.54", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PALBOCICLIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956866", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZASETRON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956866, "molecule_chembl_id": "CHEMBL1598608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.82", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZASETRON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957699", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957699, "molecule_chembl_id": "CHEMBL3963349", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "668.67", "alogp": "0.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Z-DEVD-FMK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19957700", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDROPHONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19957700, "molecule_chembl_id": "CHEMBL1104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.24", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDROPHONIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](C)(C)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962452", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOPERAMIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962452, "molecule_chembl_id": "CHEMBL1707", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.51", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LOPERAMIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962214", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMEGEPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962214, "molecule_chembl_id": "CHEMBL2178422", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "534.57", "alogp": "4.49", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Rimegepant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956763", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETOPOSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956763, "molecule_chembl_id": "CHEMBL44657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "588.56", "alogp": "1.34", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Etoposide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956769", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLYCOPYRRONIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956769, "molecule_chembl_id": "CHEMBL1201335", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.44", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLYCOPYRROLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831840", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMPEROZIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831840, "molecule_chembl_id": "CHEMBL1257106", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.96", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPEROZIDE HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827850", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMLODIPINE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827850, "molecule_chembl_id": "CHEMBL1491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.88", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amlodipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.108", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831843", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831843, "molecule_chembl_id": "CHEMBL1081188", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-365"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "72.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836340", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINACRINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836340, "molecule_chembl_id": "CHEMBL7568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "399.97", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "mepacrine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.004903", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832001", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACRISORCIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832001, "molecule_chembl_id": "CHEMBL1201038", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.51", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "ACRISORCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "61.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18838981", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "AUC Ratio", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "INACTIVE", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303091", "document_chembl_id": "CHEMBL4303773", "target_chembl_id": "CHEMBL612558", "activity_id": 18838981, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Quercetin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Vero E6", "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.818", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": "Nature", "uo_units": null, "assay_description": "Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831704", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831704, "molecule_chembl_id": "CHEMBL562310", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.45", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENDO-IWR-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830941", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMATINE CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830941, "molecule_chembl_id": "CHEMBL274189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.86", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PALMATINE CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830865", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-IBUPROPHEN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830865, "molecule_chembl_id": "CHEMBL427526", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.28", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "IBUPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830954", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPTOLIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830954, "molecule_chembl_id": "CHEMBL463763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TRIPTOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "90.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827421", "_score": 6.4024553, "_source": {"standard_units": "PFU.mL-1", "standard_type": "Viral titer", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORPROMAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303834", "document_chembl_id": "CHEMBL4303087", "target_chembl_id": "CHEMBL4303836", "activity_id": 18827421, "molecule_chembl_id": "CHEMBL1713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.33", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorpromazine Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Mus musculus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1300000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome-related coronavirus", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl", "document_journal": null, "uo_units": null, "assay_description": "Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828216", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDINAVIR SULFATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828216, "molecule_chembl_id": "CHEMBL1735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "711.88", "alogp": "2.87", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Indinavir sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827858", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18827858, "molecule_chembl_id": "CHEMBL1715107", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.85", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Buflomedil hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01988", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18832564", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18832564, "molecule_chembl_id": "CHEMBL1317618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.57", "alogp": "5.43", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PRENYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836185", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAQUINAVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836185, "molecule_chembl_id": "CHEMBL114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "670.86", "alogp": "3.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Saquinavir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2021", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828021", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMOLOL MALEATE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828021, "molecule_chembl_id": "CHEMBL1200870", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.50", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Timolol maleate salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18827294", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4303814", "document_chembl_id": "CHEMBL4303084", "target_chembl_id": "CHEMBL612558", "activity_id": 18827294, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": null, "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.76", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830872", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830872, "molecule_chembl_id": "CHEMBL193093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.31", "alogp": "2.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IKK-2-INHIBITOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1sc(-c2ccsc2)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830921", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830921, "molecule_chembl_id": "CHEMBL425027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.44", "alogp": "5.95", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AC-55649"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836196", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VECURONIUM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836196, "molecule_chembl_id": "CHEMBL1201219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "557.84", "alogp": "5.97", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "vecuronium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1052", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831327", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SU-9516", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831327, "molecule_chembl_id": "CHEMBL258805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SU9516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831329", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIGULDIPINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831329, "molecule_chembl_id": "CHEMBL405355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.72", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NIGULDIPINE-(S)-(+)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836201", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOTEPINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836201, "molecule_chembl_id": "CHEMBL285802", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "331.87", "alogp": "4.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zotepine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05771", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836215", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836215, "molecule_chembl_id": "CHEMBL231884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.55", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "diosmin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0775", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835991", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAZOBACTAM", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835991, "molecule_chembl_id": "CHEMBL404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "tazobactam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04532", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836004", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERGURIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836004, "molecule_chembl_id": "CHEMBL73151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.47", "alogp": "2.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "terguride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836162", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIDOLIC ACID", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836162, "molecule_chembl_id": "CHEMBL397976", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "129.12", "alogp": "-0.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "pidolic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1555", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18836169", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRASUGREL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18836169, "molecule_chembl_id": "CHEMBL1201772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.45", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prasugrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2148", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831306", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831306, "molecule_chembl_id": "CHEMBL261641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.10", "alogp": "3.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Su11274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835098", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SILODOSIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835098, "molecule_chembl_id": "CHEMBL24778", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Silodosin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3783", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830115", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETINOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830115, "molecule_chembl_id": "CHEMBL986", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.46", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RETINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835717", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835717, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "brivudine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05949", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830633", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMETHYLTUBOCURARINIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830633, "molecule_chembl_id": "CHEMBL2105841", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "723.74", "alogp": "7.45", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "METOCURINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[Cl-].[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830639", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830639, "molecule_chembl_id": "CHEMBL1200836", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "492.15", "alogp": "6.12", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXICONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829979", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTHRAQUINONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829979, "molecule_chembl_id": "CHEMBL55659", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "208.22", "alogp": "2.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ANTHRAQUINONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829721", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMIDROL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829721, "molecule_chembl_id": "CHEMBL417675", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PALMIDROL [5MM]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830140", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EBASTINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830140, "molecule_chembl_id": "CHEMBL305660", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.67", "alogp": "7.22", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "EBASTINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830016", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIPHENIDOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830016, "molecule_chembl_id": "CHEMBL1529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.91", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIPHENIDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830376", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TONABERSAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830376, "molecule_chembl_id": "CHEMBL318191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.83", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TONABERSAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835087", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROFLUMILAST", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835087, "molecule_chembl_id": "CHEMBL193240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.21", "alogp": "5.03", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Roflumilast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1334", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAROTENE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830499, "molecule_chembl_id": "CHEMBL442016", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "5.62", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ADAROTENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830570", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830570, "molecule_chembl_id": "CHEMBL130865", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.16", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXFENICINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(C(=O)O)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835992", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEBIPENEM PIVOXIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835992, "molecule_chembl_id": "CHEMBL2107486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.64", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tebipenem pivoxil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09408", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18831287", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATALUREN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18831287, "molecule_chembl_id": "CHEMBL256997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.25", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PTC124 (ATALUREN)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835799", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SIMEPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835799, "molecule_chembl_id": "CHEMBL501849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "749.96", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Simeprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1824", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830271", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830271, "molecule_chembl_id": "CHEMBL313120", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.29", "alogp": "2.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LICARBAZEPINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830857", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-7706621", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830857, "molecule_chembl_id": "CHEMBL191003", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-7706621"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834266", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834266, "molecule_chembl_id": "CHEMBL4303231", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.26", "alogp": "-0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CH-170"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830327", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830327, "molecule_chembl_id": "CHEMBL90769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "279.35", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-AQC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830634", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMINOTHIAZOLE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830634, "molecule_chembl_id": "CHEMBL344760", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "100.15", "alogp": "0.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOTHIAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835053", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIOGLITAZONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835053, "molecule_chembl_id": "CHEMBL595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.45", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pioglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08808", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830754", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARTAME", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830754, "molecule_chembl_id": "CHEMBL171679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ASPARTAME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DACINOSTAT", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830619, "molecule_chembl_id": "CHEMBL356066", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "2.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LAQ824 (DACINOSTAT)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835533", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXPRENOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835533, "molecule_chembl_id": "CHEMBL546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.35", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "oxprenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08363", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18828285", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Inhibition index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHACHOLINE CHLORIDE", "assay_chembl_id": "CHEMBL4303819", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303835", "activity_id": 18828285, "molecule_chembl_id": "CHEMBL1200764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.69", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methacholine chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.009846", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OC(C)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": null, "assay_description": "Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829268", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORAMBUCIL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829268, "molecule_chembl_id": "CHEMBL515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.22", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORAMBUCIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829272", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SANGUINARIUM CHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829272, "molecule_chembl_id": "CHEMBL490129", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.79", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SANGUINARIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829282", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WORTMANNIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829282, "molecule_chembl_id": "CHEMBL428496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WORTMANNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834261", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834261, "molecule_chembl_id": "CHEMBL4303284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "137.16", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRALIDOXIME-CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "41.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[n+]1ccccc1CN=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835567", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835567, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Chlorquinaldol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2863", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834271", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834271, "molecule_chembl_id": "CHEMBL4303425", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSN-375963"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835831", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPRENOLOL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835831, "molecule_chembl_id": "CHEMBL266195", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.35", "alogp": "2.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "alprenolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccccc1OCC(O)CNC(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830751", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830751, "molecule_chembl_id": "CHEMBL352418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.13", "alogp": "-1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANS-4-HYDROXY-L-PROLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H]1C[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830563", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830563, "molecule_chembl_id": "CHEMBL336546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.65", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SP-100030"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955672", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METIPRANOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955672, "molecule_chembl_id": "CHEMBL1291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Methypranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829148", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUERCETIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829148, "molecule_chembl_id": "CHEMBL50", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "QUERCETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834272", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAPENTADOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834272, "molecule_chembl_id": "CHEMBL1201777", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.81", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TAPENTADOL (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830360", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LY-294002", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830360, "molecule_chembl_id": "CHEMBL98350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID525433"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-5.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833863", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICLOFENSINE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833863, "molecule_chembl_id": "CHEMBL287257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.24", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DICLOFENSINE (HYDROCHLORIDE)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829166", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPIPERONE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829166, "molecule_chembl_id": "CHEMBL1256875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.94", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPIPERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "56.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829616", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829616, "molecule_chembl_id": "CHEMBL282748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.65", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GGTI298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835543", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXYPROPIONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835543, "molecule_chembl_id": "CHEMBL312311", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "150.18", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "paroxypropione"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1593", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1ccc(O)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830840", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALVINORIN A", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830840, "molecule_chembl_id": "CHEMBL445332", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.47", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SALVINORIN A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835557", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLORETIN", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835557, "molecule_chembl_id": "CHEMBL45068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phloretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1024", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834236", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834236, "molecule_chembl_id": "CHEMBL4303294", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.24", "alogp": "-0.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETIMIZOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cnc(C(=O)NC)c1C(=O)NC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829536", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLCARBAMAZINE CITRATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829536, "molecule_chembl_id": "CHEMBL937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "391.42", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DIETHYLCARBAMAZINE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829012", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AZITHROMYCIN", "assay_chembl_id": "CHEMBL4303821", "document_chembl_id": "CHEMBL4303097", "target_chembl_id": "CHEMBL4303840", "activity_id": 18829012, "molecule_chembl_id": "CHEMBL529", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "749.00", "alogp": "1.90", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Azithromycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834725", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "18.27 \u00b1 0.18", "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.74", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303806", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834725, "molecule_chembl_id": "CHEMBL75232", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.91", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "VATALANIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18270.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835771", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZOGABINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835771, "molecule_chembl_id": "CHEMBL41355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.34", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Retigabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1746", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835186", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APRACLONIDINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835186, "molecule_chembl_id": "CHEMBL647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.11", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "apraclonidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2069", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834980", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAHISTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834980, "molecule_chembl_id": "CHEMBL24441", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "136.20", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Betahistine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1802", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCc1ccccn1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835827", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADRAFINIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835827, "molecule_chembl_id": "CHEMBL93077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.36", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "adrafinil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2003", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)NO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835226", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835226, "molecule_chembl_id": "CHEMBL125569", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.44", "alogp": "5.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Dantrolene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835836", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANTAZOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835836, "molecule_chembl_id": "CHEMBL1305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.36", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Antazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1577", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835844", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENDROFLUMETHIAZIDE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835844, "molecule_chembl_id": "CHEMBL1684", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bendroflumethiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1205", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835845", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZONATATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835845, "molecule_chembl_id": "CHEMBL1374379", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "603.75", "alogp": "2.83", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "benzonatate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835703", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEPOTASTINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835703, "molecule_chembl_id": "CHEMBL1201758", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bepotastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1376", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835738", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE TEBUTATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835738, "molecule_chembl_id": "CHEMBL1200909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.60", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prednisolone-tebutate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1945", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835746", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835746, "molecule_chembl_id": "CHEMBL528080", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.25", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Propranolol glycol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1908", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(O)COc1cccc2ccccc12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829878", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORBIFLOXACIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829878, "molecule_chembl_id": "CHEMBL295433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.38", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ORBIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830090", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830090, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830662", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830662, "molecule_chembl_id": "CHEMBL263730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1101.28", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ECHINOMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "77.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830666", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830666, "molecule_chembl_id": "CHEMBL155103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.21", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YZ9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1cc2ccc(O)cc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830323", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FELBAMATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830323, "molecule_chembl_id": "CHEMBL1094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.24", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FELBAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835691", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NAPHAZOLINE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835691, "molecule_chembl_id": "CHEMBL761", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.28", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Naphazoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.002061", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(CC3=NCCN3)cccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835692", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDOCROMIL", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835692, "molecule_chembl_id": "CHEMBL746", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "371.35", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "nedocromil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05621", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830836", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830836, "molecule_chembl_id": "CHEMBL188678", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.50", "alogp": "5.66", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NU7441(KU-57788)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYPERICIN", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829619, "molecule_chembl_id": "CHEMBL286494", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "504.45", "alogp": "5.08", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "HYPERICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829621", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIHYDREXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829621, "molecule_chembl_id": "CHEMBL1256832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIHYDREXIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829630", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829630, "molecule_chembl_id": "CHEMBL1256955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "590.58", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-20712A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834331", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834331, "molecule_chembl_id": "CHEMBL4303385", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.44", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-542573X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "38.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1NC(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834253", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-4733", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834253, "molecule_chembl_id": "CHEMBL4297422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "469.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "RO4929097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835737", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PREDNISOLONE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835737, "molecule_chembl_id": "CHEMBL131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.45", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "prednisolone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03404", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835713", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BOCEPREVIR", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835713, "molecule_chembl_id": "CHEMBL218394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "519.69", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Boceprevir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1287", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835659", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GABEXATE", "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835659, "molecule_chembl_id": "CHEMBL87563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.38", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Gabexate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2661", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18835356", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Hit score", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303810", "document_chembl_id": "CHEMBL4303122", "target_chembl_id": "CHEMBL4303835", "activity_id": 18835356, "molecule_chembl_id": "CHEMBL9790", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.14", "alogp": "-1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Meclizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4303839", "assay_cell_type": "HRCE", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1284", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2c(cc1[N+](=O)[O-])=NC(=O)C(=O)N=2", "document_journal": null, "uo_units": null, "assay_description": "Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits)", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829145", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLIMIDONE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829145, "molecule_chembl_id": "CHEMBL8030", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.21", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLIMIDONE, MLR 1023"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(Oc2cnc(O)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18833854", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18833854, "molecule_chembl_id": "CHEMBL4303299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.47", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DESOXYMETASONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829154", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PENTAMIDINE ISETHIONATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829154, "molecule_chembl_id": "CHEMBL361506", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "592.69", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PENTAMIDINE ISETHIONATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "46.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829159", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETRETINATE", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829159, "molecule_chembl_id": "CHEMBL464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ETRETINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829854", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829854, "molecule_chembl_id": "CHEMBL46909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.35", "alogp": "3.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834554", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18834554, "molecule_chembl_id": "CHEMBL4303487", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.41", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KS-176"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1C(=O)Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830110", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830110, "molecule_chembl_id": "CHEMBL67601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.43", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HTMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-28.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18830113", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IMIDUREA", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18830113, "molecule_chembl_id": "CHEMBL65433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.30", "alogp": "-4.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IMIDUREA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18834820", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4303808", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL612558", "activity_id": 18834820, "molecule_chembl_id": "CHEMBL559569", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "418.41", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-612111"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "18829974", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUPENTIXOL", "assay_chembl_id": "CHEMBL4303805", "document_chembl_id": "CHEMBL4303101", "target_chembl_id": "CHEMBL4303835", "activity_id": 18829974, "molecule_chembl_id": "CHEMBL54661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.53", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "FLUPENTIXOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL3307519", "assay_cell_type": "Caco-2", "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "36.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150543", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150543, "molecule_chembl_id": "CHEMBL515414", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.37", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FMK"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147249", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147249, "molecule_chembl_id": "CHEMBL1534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "376.37", "alogp": "-1.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIBOFLAVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151220", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151220, "molecule_chembl_id": "CHEMBL3039507", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.95", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sotagliflozin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147095", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPEREZOLID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147095, "molecule_chembl_id": "CHEMBL47955", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "394.40", "alogp": "-0.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Eperezolid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZTREONAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151203, "molecule_chembl_id": "CHEMBL158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.44", "alogp": "-1.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZTREONAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147160", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DICUMAROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147160, "molecule_chembl_id": "CHEMBL1466", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.30", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICUMAROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956414", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956414, "molecule_chembl_id": "CHEMBL3780497", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "470.52", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MI-136"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151222", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151222, "molecule_chembl_id": "CHEMBL316069", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.34", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-SER-082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146701", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N6-CYCLOPENTYLADENOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146701, "molecule_chembl_id": "CHEMBL68738", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.36", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N6-cyclopentyladenosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146704", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146704, "molecule_chembl_id": "CHEMBL440298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.39", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-556"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151393", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALGESTONE ACETOPHENIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151393, "molecule_chembl_id": "CHEMBL2105993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.60", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "algestone-acetophenide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@@]12OC(C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151940", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151940, "molecule_chembl_id": "CHEMBL1323615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.32", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML171 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2Sc2cc(N)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146889", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISPHENOL A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146889, "molecule_chembl_id": "CHEMBL418971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bisphenol-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154417", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IDARUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154417, "molecule_chembl_id": "CHEMBL1200976", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "533.96", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idarubicin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "410.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958789", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IDAZOXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958789, "molecule_chembl_id": "CHEMBL543467", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IDAZOXAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2c(c1)OCC(C1=NCCN1)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963453", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963453, "molecule_chembl_id": "CHEMBL1082462", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.40", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DBPR108"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.301", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958858", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACETYL TYROSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958858, "molecule_chembl_id": "CHEMBL65543", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyl-tyrosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963466", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963466, "molecule_chembl_id": "CHEMBL560590", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.45", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146486", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146486, "molecule_chembl_id": "CHEMBL1978713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "341.44", "alogp": "3.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-152100"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147552", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARCTIGENIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147552, "molecule_chembl_id": "CHEMBL435734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.42", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARCTIGENIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147566", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147566, "molecule_chembl_id": "CHEMBL4303182", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.80", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EN460"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147477", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTRASTAURIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147477, "molecule_chembl_id": "CHEMBL565612", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.49", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SOTRASTAURIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964379", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964379, "molecule_chembl_id": "CHEMBL1591074", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.42", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CBS; N-Cyclohexyl-2-benzothiazolesulfenamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "c1ccc2sc(SNC3CCCCC3)nc2c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960369", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960369, "molecule_chembl_id": "CHEMBL273083", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "593.67", "alogp": "4.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BMS-CCR2-22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958785", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958785, "molecule_chembl_id": "CHEMBL3774960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "426.15", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "wiskostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958843", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958843, "molecule_chembl_id": "CHEMBL4303695", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NS-3861"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2C=C(c3sccc3Br)CC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961196", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSE BENGAL SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961196, "molecule_chembl_id": "CHEMBL2359093", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1017.64", "alogp": "9.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Rose Bengal Sodium Salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "92.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146477", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146477, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Sapanisertib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961575", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961575, "molecule_chembl_id": "CHEMBL347496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "415.72", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EO-1428"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.096", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963401", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ETHYL VANILLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963401, "molecule_chembl_id": "CHEMBL508676", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.18", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ETHYL VANILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.127", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(C=O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958369", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958369, "molecule_chembl_id": "CHEMBL482409", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.36", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD083064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146990", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR CARBOXYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146990, "molecule_chembl_id": "CHEMBL674", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.36", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Oseltamivir (acid)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956417", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956417, "molecule_chembl_id": "CHEMBL2172308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "577.75", "alogp": "5.09", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Belizatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956651", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEMIRALISIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956651, "molecule_chembl_id": "CHEMBL2216859", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.55", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "nemiralisib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-37.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956081", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956081, "molecule_chembl_id": "CHEMBL507305", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "635.15", "alogp": "4.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ansamitocin P-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\\C)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960912", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIOSMETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960912, "molecule_chembl_id": "CHEMBL90568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.27", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diosmetin (Luteolin 4-methyl ether)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955707", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYAMEMAZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955707, "molecule_chembl_id": "CHEMBL2104153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.47", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cyamemazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960552", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALVINORIN A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960552, "molecule_chembl_id": "CHEMBL445332", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "432.47", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Salvinorin A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956160", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956160, "molecule_chembl_id": "CHEMBL249097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "335.37", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lck inhibitor 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956077", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BIRINAPANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956077, "molecule_chembl_id": "CHEMBL3039522", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "806.96", "alogp": "2.61", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Birinapant\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960101", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOTEPA", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960101, "molecule_chembl_id": "CHEMBL671", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "189.22", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIOTEPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "S=P(N1CC1)(N1CC1)N1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960110", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAKUCHIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960110, "molecule_chembl_id": "CHEMBL262344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.39", "alogp": "5.34", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "Bakuchiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.323", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960836", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXAPROZIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960836, "molecule_chembl_id": "CHEMBL1071", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "293.32", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "OXAPROZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956300", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RUCINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956300, "molecule_chembl_id": "CHEMBL450195", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "166.22", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Butylresorcinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148647", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLASDEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148647, "molecule_chembl_id": "CHEMBL2043437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLASDEGIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148763", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANCITABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148763, "molecule_chembl_id": "CHEMBL1412614", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.20", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ancitabine hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153604", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153604, "molecule_chembl_id": "CHEMBL1367006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "levomequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149122", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIIODOPHENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149122, "molecule_chembl_id": "CHEMBL81721", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.80", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM-24"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153624", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIRDAMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153624, "molecule_chembl_id": "CHEMBL507361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.20", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PD-0325901"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149851", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD1446", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149851, "molecule_chembl_id": "CHEMBL2179529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.69", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD1446"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc(Cl)o1)N1CC2CNCC2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153740", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CUDC-101", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153740, "molecule_chembl_id": "CHEMBL598797", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "CUDC-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149682", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149682, "molecule_chembl_id": "CHEMBL4303180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.18", "alogp": "-3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Pinitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151670", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANAGLIFLOZIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151670, "molecule_chembl_id": "CHEMBL2048484", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "444.52", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANAGLIFLOZIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153696", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153696, "molecule_chembl_id": "CHEMBL2436978", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.55", "alogp": "5.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "URMC-099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153702", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153702, "molecule_chembl_id": "CHEMBL226345", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.13", "alogp": "-0.06", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ADENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2[nH]cnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153326", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLYBURIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153326, "molecule_chembl_id": "CHEMBL472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.01", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "glibenclamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151021", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYPRESSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151021, "molecule_chembl_id": "CHEMBL1200690", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1056.24", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "lypressin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150934", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESOMEPRAZOLE MAGNESIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150934, "molecule_chembl_id": "CHEMBL2146133", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.14", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Esomeprazole magnesium trihydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146528", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146528, "molecule_chembl_id": "CHEMBL1357932", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-carboxy-3-hydroxyphenylglycine-(RS)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](C(=O)O)c1ccc(C(=O)O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960953", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COROSOLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960953, "molecule_chembl_id": "CHEMBL391533", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.71", "alogp": "6.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Corosolic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955802", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANCITABINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955802, "molecule_chembl_id": "CHEMBL1412614", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.20", "alogp": "-1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ancitabine hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959709", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CI-218872", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959709, "molecule_chembl_id": "CHEMBL13662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.24", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-218872"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.508", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956464", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IOTYROSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956464, "molecule_chembl_id": "CHEMBL479789", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.09", "alogp": "0.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "H-Tyr(3-I)-OH"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960569, "molecule_chembl_id": "CHEMBL3633720", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "316.79", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-63533054"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960064", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960064, "molecule_chembl_id": "CHEMBL353187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "180.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "U-0521"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.444", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)c1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963658", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963658, "molecule_chembl_id": "CHEMBL4241824", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "487.65", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK 3008348 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.779", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963659", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963659, "molecule_chembl_id": "CHEMBL318457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.85", "alogp": "8.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-4064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958793", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESTRADIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958793, "molecule_chembl_id": "CHEMBL135", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "272.39", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958366", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958366, "molecule_chembl_id": "CHEMBL179281", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "346.54", "alogp": "5.54", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Glucagon Receptor Antagonist I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(C(C)(C)CC)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960396", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URSODIOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960396, "molecule_chembl_id": "CHEMBL1551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.58", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "URSODIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959214", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFADROXIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959214, "molecule_chembl_id": "CHEMBL1644", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "363.39", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CEFADROXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964258", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.09", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964258, "molecule_chembl_id": "CHEMBL403183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "207.25", "alogp": "1.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7082"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "820.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956083", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEGOBUVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956083, "molecule_chembl_id": "CHEMBL1957287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tegobuvir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956131", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956131, "molecule_chembl_id": "CHEMBL1496098", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Indirubin-3'-monoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1\\Nc2ccccc2\\C1=N/O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AEE-788", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961499, "molecule_chembl_id": "CHEMBL587723", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.60", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AEE788"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANETHOLTRITHION", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963842, "molecule_chembl_id": "CHEMBL178862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anethole (trithione)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=S)ss2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955828", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955828, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dutasteride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956451", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERYTHROMYCIN ETHYLSUCCINATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956451, "molecule_chembl_id": "CHEMBL1200688", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "862.06", "alogp": "2.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ETHYLSUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956149", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2X-121", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956149, "molecule_chembl_id": "CHEMBL3644587", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.35", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "E7449"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c32", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963641", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SPEBRUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963641, "molecule_chembl_id": "CHEMBL3301625", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "423.45", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-292 (AVL-292)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.583", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960574", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960574, "molecule_chembl_id": "CHEMBL1287854", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "306.37", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S-Ruxolitinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961320", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "D-HISTIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961320, "molecule_chembl_id": "CHEMBL104875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "155.16", "alogp": "-0.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "D-Histidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@H](Cc1c[nH]cn1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956560", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956560, "molecule_chembl_id": "CHEMBL3951811", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "580.13", "alogp": "3.84", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CEP-37440"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.79", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "3-HYDROXYBUTYRIC ACID, (+/-)-", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959036, "molecule_chembl_id": "CHEMBL1162496", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "104.10", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "beta-Hydroxybutyrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145623", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHINYL ESTRADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145623, "molecule_chembl_id": "CHEMBL691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.41", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ETHINYL ESTRADIOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150671", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PALMATINE CHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150671, "molecule_chembl_id": "CHEMBL274189", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "387.86", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Palmatine chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146375", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146375, "molecule_chembl_id": "CHEMBL1398683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.45", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ciglitazone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145491", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145491, "molecule_chembl_id": "CHEMBL2178735", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "467.49", "alogp": "3.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM201636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "73.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146305", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146305, "molecule_chembl_id": "CHEMBL4303358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1007.21", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Oxytocin (acetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146325", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SURITOZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146325, "molecule_chembl_id": "CHEMBL278764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.28", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "suritozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1nc(-c2cccc(F)c2)n(C)c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146026", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146026, "molecule_chembl_id": "CHEMBL1608472", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-308264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(N2C(=O)CC(Sc3nc[nH]n3)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FRENTIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145928, "molecule_chembl_id": "CHEMBL128988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.36", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Frentizol\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150691", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150691, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NORFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146191", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IOXILAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146191, "molecule_chembl_id": "CHEMBL1201075", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "791.11", "alogp": "-0.99", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "IOXILAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150692", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150692, "molecule_chembl_id": "CHEMBL59925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "122.17", "alogp": "1.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD119381"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150700", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150700, "molecule_chembl_id": "CHEMBL4303362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.97", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Halobetasol Propionate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146094", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146094, "molecule_chembl_id": "CHEMBL4587433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Protein kinase inhibitors 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1NC(=O)/C(=C\\c2c[nH]c(=O)c(-c3ccc(N4CCNCC4)nc3)c2)S1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146383", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EMBELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146383, "molecule_chembl_id": "CHEMBL221137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.39", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "embelin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150486", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NALFURAFINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150486, "molecule_chembl_id": "CHEMBL490665", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.03", "alogp": "3.09", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nalfurafine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150943", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150943, "molecule_chembl_id": "CHEMBL288246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.60", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "EMD-66684"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146441", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146441, "molecule_chembl_id": "CHEMBL4557365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.42", "alogp": "0.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "S-(4-nitrobenzyl)-6-thioinosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146664", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLMESARTAN MEDOXOMIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146664, "molecule_chembl_id": "CHEMBL1200692", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "558.60", "alogp": "4.17", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "OLMESARTAN MEDOXOMIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146270", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146270, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "UBENIMEX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962977", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962977, "molecule_chembl_id": "CHEMBL3891157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "108.02", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lithium acetoacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(=O)[O-].[Li+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963059", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963059, "molecule_chembl_id": "CHEMBL4303204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.39", "alogp": "4.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-4-[8-(3-Fluorophenyl)-1;7-naphthyridin-6-yl]cyclohexanecarboxylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.642", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958422", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958422, "molecule_chembl_id": "CHEMBL4577612", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "130.10", "alogp": "-0.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monomethyl fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C=CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963034", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACITAZANOLAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963034, "molecule_chembl_id": "CHEMBL2104654", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "233.19", "alogp": "-0.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acitazanolast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.033", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963424", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963424, "molecule_chembl_id": "CHEMBL4303308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151186", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CISAPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151186, "molecule_chembl_id": "CHEMBL1729", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.95", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cisapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151042", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBUTYRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151042, "molecule_chembl_id": "CHEMBL118722", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.37", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "Tributyrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146539", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146539, "molecule_chembl_id": "CHEMBL56731", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.28", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tyrphostin-AG-494"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150936", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150936, "molecule_chembl_id": "CHEMBL3110004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.53", "alogp": "5.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TMP269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146608", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARVEDILOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146608, "molecule_chembl_id": "CHEMBL723", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.48", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARVEDILOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151118", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151118, "molecule_chembl_id": "CHEMBL2170177", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCI-34051"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150766", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150766, "molecule_chembl_id": "CHEMBL1621528", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.40", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Proxodolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146208", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORLISTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146208, "molecule_chembl_id": "CHEMBL175247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.75", "alogp": "6.88", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ORLISTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146211", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOCOPHEROL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146211, "molecule_chembl_id": "CHEMBL1047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "472.75", "alogp": "9.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tocopherol acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962932", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFODIZIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962932, "molecule_chembl_id": "CHEMBL2303613", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "584.68", "alogp": "1.00", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Cefodizime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958331", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIAMINOOCTANE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958331, "molecule_chembl_id": "CHEMBL29392", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "144.26", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Octamethylenediamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962934", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFDITOREN PIVOXIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962934, "molecule_chembl_id": "CHEMBL454446", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "620.74", "alogp": "2.30", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CEFDITORIN PIVOXIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\\c3scnc3C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958333", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6,4'-DIMETHOXYFLAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958333, "molecule_chembl_id": "CHEMBL1410006", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6,4'-DIMETHOXYFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962935", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACEXAMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962935, "molecule_chembl_id": "CHEMBL2105922", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "173.21", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "acexamic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.253", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962940", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962940, "molecule_chembl_id": "CHEMBL3970748", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.48", "alogp": "4.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BRD4770"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.699", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962942", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962942, "molecule_chembl_id": "CHEMBL3909511", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "526.69", "alogp": "4.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK503"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962943", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BAICALEIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962943, "molecule_chembl_id": "CHEMBL8260", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "baicalein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "93.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962920", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRETINOIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962920, "molecule_chembl_id": "CHEMBL38", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.44", "alogp": "5.60", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "tretinoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.859", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962923", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIROXIMONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962923, "molecule_chembl_id": "CHEMBL58355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.23", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piroximone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958324", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FORMOTEROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958324, "molecule_chembl_id": "CHEMBL1256786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.41", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FORMOTEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962931", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "2S,4R-4-METHYLGLUTAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962931, "molecule_chembl_id": "CHEMBL288166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "161.16", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SYM 2081"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](C[C@H](N)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146416", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMBRISENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146416, "molecule_chembl_id": "CHEMBL1111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "378.43", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ambrisentan\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146457", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZOFENOPRIL CALCIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146457, "molecule_chembl_id": "CHEMBL2105776", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "897.19", "alogp": "4.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zofenopril (calcium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146463", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146463, "molecule_chembl_id": "CHEMBL3349607", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1047.23", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Pasireotide (ditrifluoroacetate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146519", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OBETICHOLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146519, "molecule_chembl_id": "CHEMBL566315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.63", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "2; 6-ECDCA, INT747, OCA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150973", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHIMAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150973, "molecule_chembl_id": "CHEMBL1515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "114.17", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METHIMAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc[nH]c1=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146472", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXFENFLURAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146472, "molecule_chembl_id": "CHEMBL1887891", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.72", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dexfenfluramine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145584", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145584, "molecule_chembl_id": "CHEMBL277805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.41", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NKL 22"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145589", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145589, "molecule_chembl_id": "CHEMBL4303634", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-hydroxy-3-phenylpentanamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(O)(CC(N)=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958698", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EFAROXAN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958698, "molecule_chembl_id": "CHEMBL539313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "252.75", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EFAROXAN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(C2=NCCN2)Cc2ccccc2O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958511, "molecule_chembl_id": "CHEMBL396097", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "227.26", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD041258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)C(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963451", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963451, "molecule_chembl_id": "CHEMBL38508", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.50", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-0742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.786", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150627", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150627, "molecule_chembl_id": "CHEMBL466397", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "851.98", "alogp": "6.86", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "GSK1904529A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958484", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRUNETIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958484, "molecule_chembl_id": "CHEMBL491174", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.27", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PRUNETIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962959", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962959, "molecule_chembl_id": "CHEMBL73149", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "371.46", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xanomeline (oxalate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.744", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150645", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERIFOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150645, "molecule_chembl_id": "CHEMBL372764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.67", "alogp": "6.99", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Perifosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963036, "molecule_chembl_id": "CHEMBL287327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.23", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-689560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958446", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEQUALINIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958446, "molecule_chembl_id": "CHEMBL333826", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "456.68", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DEQUALINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963279", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CGM-097", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963279, "molecule_chembl_id": "CHEMBL3601398", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "659.27", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "NVP-CGM097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04226", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146564", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146564, "molecule_chembl_id": "CHEMBL4282264", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "536.48", "alogp": "3.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "A-485"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(F)(F)F)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146048", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOCTIC ACID AMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146048, "molecule_chembl_id": "CHEMBL1403899", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "205.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LIPOAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CCCCC1CCSS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151074", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151074, "molecule_chembl_id": "CHEMBL1794737", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "210.14", "alogp": "-3.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "glucaric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150558", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPROSTADIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150558, "molecule_chembl_id": "CHEMBL495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alprostadil\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146579", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146579, "molecule_chembl_id": "CHEMBL153057", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.44", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-165041"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146487", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146487, "molecule_chembl_id": "CHEMBL4303235", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.25", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCMI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=CNc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150991", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150991, "molecule_chembl_id": "CHEMBL4576320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "395.53", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK1702934A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1cc2c(s1)CCCCC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150992", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150992, "molecule_chembl_id": "CHEMBL3262896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.31", "alogp": "3.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NIBR189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150995", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150995, "molecule_chembl_id": "CHEMBL1236749", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.26", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-aminopenicillanic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146395", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASPARAGINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146395, "molecule_chembl_id": "CHEMBL58832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "132.12", "alogp": "-1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-asparagine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)C[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150906", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-05180999", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150906, "molecule_chembl_id": "CHEMBL3092562", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.40", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-05180999"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146403, "molecule_chembl_id": "CHEMBL2179387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.40", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146510", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVOCETIRIZINE DIHYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146510, "molecule_chembl_id": "CHEMBL1201190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.82", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "LEVOCETIRIZINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963398", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963398, "molecule_chembl_id": "CHEMBL1551336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "395.14", "alogp": "4.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGH2466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.321", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961300", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOHEXIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961300, "molecule_chembl_id": "CHEMBL123292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.35", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYCLOHEXIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955638, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM001246623"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.81", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960709", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SCRIPTAID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960709, "molecule_chembl_id": "CHEMBL96051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.35", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "scriptaid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963079", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963079, "molecule_chembl_id": "CHEMBL180672", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.93", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPS-2143 (SB262470)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145533", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145533, "molecule_chembl_id": "CHEMBL3421968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145827", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145827, "molecule_chembl_id": "CHEMBL4303728", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.82", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CU-CPT-4a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(N[C@H](Cc1ccccc1)C(=O)O)c1sc2cc(F)ccc2c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958689", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COCARBOXYLASE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958689, "molecule_chembl_id": "CHEMBL2104121", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.77", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiamine pyrophosphate chloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963539", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963539, "molecule_chembl_id": "CHEMBL1446457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.55", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-05-2090"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.688", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960826", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960826, "molecule_chembl_id": "CHEMBL3335793", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "515.51", "alogp": "2.12", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AZD3965"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956052", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETULIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956052, "molecule_chembl_id": "CHEMBL23236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.73", "alogp": "7.00", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Betulin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145762", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX]", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145762, "molecule_chembl_id": "CHEMBL183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.39", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DPCPX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961293", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHYSERGIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961293, "molecule_chembl_id": "CHEMBL1065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "353.47", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "methysergide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150512", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150512, "molecule_chembl_id": "CHEMBL3752060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NLG919"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956523", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956523, "molecule_chembl_id": "CHEMBL3392845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.52", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGI-6780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956525", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AVACOPAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956525, "molecule_chembl_id": "CHEMBL3989871", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "581.65", "alogp": "8.05", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "avacopan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150428, "molecule_chembl_id": "CHEMBL386389", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1202.63", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "CYCLOSPORINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961308", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROXALDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961308, "molecule_chembl_id": "CHEMBL2104247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "421.09", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BROXALDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.251", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963502", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CANDESARTAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963502, "molecule_chembl_id": "CHEMBL1016", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "440.46", "alogp": "4.03", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CANDESARTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963520", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AGOMELATINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963520, "molecule_chembl_id": "CHEMBL10878", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Agomelatine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.536", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963112", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RESIQUIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963112, "molecule_chembl_id": "CHEMBL383322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.39", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Resiquimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150559", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLASDEGIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150559, "molecule_chembl_id": "CHEMBL2043437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glasdegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150724", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150724, "molecule_chembl_id": "CHEMBL511307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.38", "alogp": "3.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YS-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1cc2c(cc1O)[C@H](Cc1cccc3ccccc13)NCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146661", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STIGMASTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146661, "molecule_chembl_id": "CHEMBL400247", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.70", "alogp": "7.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Stigmasterol (Stigmasterin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150871", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MDL-28170", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150871, "molecule_chembl_id": "CHEMBL8486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Valyl-L-phenylalanine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150407", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150407, "molecule_chembl_id": "CHEMBL1317546", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "221.26", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DNA-PK inhibitor III"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc(N2CCOCC2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960085", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TARIQUIDAR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960085, "molecule_chembl_id": "CHEMBL348475", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "646.74", "alogp": "6.37", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Tariquidar"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.369", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956427", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TETRACAINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956427, "molecule_chembl_id": "CHEMBL698", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "264.37", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRACAINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961205", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961205, "molecule_chembl_id": "CHEMBL4303652", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "564.83", "alogp": "4.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Valnemulin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.725", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959473", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959473, "molecule_chembl_id": "CHEMBL47850", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "237.37", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SIB-1553A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC1CCSc1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964078", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964078, "molecule_chembl_id": "CHEMBL4303566", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.29", "alogp": "-2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "API-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964158", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HEXYLRESORCINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964158, "molecule_chembl_id": "CHEMBL443605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "194.27", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HEXYLRESORCINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCc1ccc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959569, "molecule_chembl_id": "CHEMBL455185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.26", "alogp": "4.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-55845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955925", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ILEPCIMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955925, "molecule_chembl_id": "CHEMBL118478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.30", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Antiepilepsirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955778", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PODOFILOX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955778, "molecule_chembl_id": "CHEMBL61", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.41", "alogp": "2.41", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Podofilox\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964231", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.50", "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964231, "molecule_chembl_id": "CHEMBL1608472", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-308264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3170.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(N2C(=O)CC(Sc3nc[nH]n3)C2=O)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151890", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151890, "molecule_chembl_id": "CHEMBL46293", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "135.17", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Benzylformamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=CNCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-13148", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956569, "molecule_chembl_id": "CHEMBL3544960", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AT13148"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151902", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PU-H71", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151902, "molecule_chembl_id": "CHEMBL200102", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.38", "alogp": "3.28", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "PU-H71"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147402", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETA-SITOSTEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147402, "molecule_chembl_id": "CHEMBL221542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "414.72", "alogp": "8.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "alphaSitosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147282", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147282, "molecule_chembl_id": "CHEMBL1516077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.21", "alogp": "1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENSUCCIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)C[C@H](c2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147526", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAZOPANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147526, "molecule_chembl_id": "CHEMBL477772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pazopanib hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960832", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960832, "molecule_chembl_id": "CHEMBL4303370", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.37", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Matrine ((+)-Matrine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@@H]34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956060", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GSK-369796", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956060, "molecule_chembl_id": "CHEMBL147806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "355.87", "alogp": "5.23", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "N-tert-Butylisoquine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146780", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146780, "molecule_chembl_id": "CHEMBL4303417", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "204.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Org-26576"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2cccnc2OC[C@@H]2CCCN12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956176", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDOXUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956176, "molecule_chembl_id": "CHEMBL318153", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "-1.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EDOXUDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151321", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151321, "molecule_chembl_id": "CHEMBL3184306", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.66", "alogp": "7.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "cholesterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151425", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROMFENAC SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151425, "molecule_chembl_id": "CHEMBL751", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.15", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Bromfenac Sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152893", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EFAVIRENZ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152893, "molecule_chembl_id": "CHEMBL223228", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "315.68", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EFV"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LYNESTRENOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148587, "molecule_chembl_id": "CHEMBL2107431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.44", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "lynestrenol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148099", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N,N-DIMETHYLETHANAMINIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148099, "molecule_chembl_id": "CHEMBL609099", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "73.14", "alogp": "0.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N,N-DIMETHYLETHANAMINIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152604", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ATALUREN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152604, "molecule_chembl_id": "CHEMBL256997", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.25", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Ataluren\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153118", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETILEVODOPA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153118, "molecule_chembl_id": "CHEMBL1823681", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "225.24", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "etilevodopa"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153124", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BELINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153124, "molecule_chembl_id": "CHEMBL408513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.35", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Belinostat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMECLIDINIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148619, "molecule_chembl_id": "CHEMBL523299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "508.50", "alogp": "5.14", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Umeclidinium (bromide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148512", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIETHYLPROPION HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148512, "molecule_chembl_id": "CHEMBL1693", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.76", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "amfepramone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)C(C)C(=O)c1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154333", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN A9", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154333, "molecule_chembl_id": "CHEMBL78150", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin 9 (SF 6847)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153029", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALOGLIPTIN BENZOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153029, "molecule_chembl_id": "CHEMBL227529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.52", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALOGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153036, "molecule_chembl_id": "CHEMBL3125890", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "554.53", "alogp": "6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAK-632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148433", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-METHYL-D-ASPARTIC ACID (NMDA)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148433, "molecule_chembl_id": "CHEMBL291278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.13", "alogp": "-0.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NMDA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149096", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMIFAMPRIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149096, "molecule_chembl_id": "CHEMBL354077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "109.13", "alogp": "0.25", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pyridine-3;4-diamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccncc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955918", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955918, "molecule_chembl_id": "CHEMBL858", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.24", "alogp": "-2.07", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Edetic_acid\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960976", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOMIDIUM BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960976, "molecule_chembl_id": "CHEMBL284328", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.32", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HOMIDIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-8.784", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW-274150", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956203, "molecule_chembl_id": "CHEMBL114551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.31", "alogp": "0.11", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW274150"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=N)NCCSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956134", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956134, "molecule_chembl_id": "CHEMBL4101890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.54", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ6102"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956208", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAPROMORELIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956208, "molecule_chembl_id": "CHEMBL113313", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.62", "alogp": "1.71", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "CAPROMORELIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960989", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960989, "molecule_chembl_id": "CHEMBL250699", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.79", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-803467"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955809", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BOSUTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955809, "molecule_chembl_id": "CHEMBL288441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "530.46", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bosutinib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955814", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ELESCLOMOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955814, "molecule_chembl_id": "CHEMBL1972860", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.53", "alogp": "2.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Elesclomol\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154387", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "CIPARGAMIN", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154387, "molecule_chembl_id": "CHEMBL1082723", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "390.25", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cipargamin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152683", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-2014", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152683, "molecule_chembl_id": "CHEMBL1078983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ku-0063794"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154391", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154391, "molecule_chembl_id": "CHEMBL208943", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-640186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10220.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149897", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149897, "molecule_chembl_id": "CHEMBL34964", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "178.02", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "Benzo[B]Thiophene-2-Boronic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OB(O)c1cc2ccccc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154096", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW806742X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154096, "molecule_chembl_id": "CHEMBL188381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.56", "alogp": "5.18", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW806742X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154097", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154097, "molecule_chembl_id": "CHEMBL1923233", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "384.28", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Degrasyn (WP1130)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153420", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MG-132", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153420, "molecule_chembl_id": "CHEMBL64925", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.63", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MG-132"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153453", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENOXOLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153453, "molecule_chembl_id": "CHEMBL230006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "470.69", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "ENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153806", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLUIDINE BLUE O", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153806, "molecule_chembl_id": "CHEMBL562639", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.83", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TOLONIUM CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149373", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SU-9516", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149373, "molecule_chembl_id": "CHEMBL258805", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.25", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "SU9516"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153877", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153877, "molecule_chembl_id": "CHEMBL2037200", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.95", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CX-6258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150288", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150288, "molecule_chembl_id": "CHEMBL176544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW-441756"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(/C=C2\\C(=O)Nc3cccnc32)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150105", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULBACTAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150105, "molecule_chembl_id": "CHEMBL403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.25", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULBACTAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149729", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149729, "molecule_chembl_id": "CHEMBL328710", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.33", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMBI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149443", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIAPRIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149443, "molecule_chembl_id": "CHEMBL1256772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.90", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TIAPRIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152951", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITOPERTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152951, "molecule_chembl_id": "CHEMBL1171829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.46", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "bitopertin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152959", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SC-560", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152959, "molecule_chembl_id": "CHEMBL26915", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.74", "alogp": "5.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-560"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148919", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148919, "molecule_chembl_id": "CHEMBL1270208", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.81", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121203"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1cccnc1OCC(F)(F)F)c1cncc(-c2ccc(Cl)cc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153284", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153284, "molecule_chembl_id": "CHEMBL228192", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.87", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS1517499"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cnc(NCCc2ccc(O)c(Cl)c2)nc1NCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ECADOTRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147628, "molecule_chembl_id": "CHEMBL1516410", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.49", "alogp": "2.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RACECADOTRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153743", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FOROPAFANT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153743, "molecule_chembl_id": "CHEMBL1628662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "464.72", "alogp": "7.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "foropafant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cc(C(C)C)c(-c2csc(N(CCN(C)C)Cc3cccnc3)n2)c(C(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154080", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ASTEMIZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154080, "molecule_chembl_id": "CHEMBL296419", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.58", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ASTEMIZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153904", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153904, "molecule_chembl_id": "CHEMBL3040440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PND-1186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148102", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148102, "molecule_chembl_id": "CHEMBL4514279", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "570.77", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CARBENOXOLONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C5CCC43C)C2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148486", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENZO[DEF]CHRYSENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148486, "molecule_chembl_id": "CHEMBL31184", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.32", "alogp": "5.74", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "BENZO[a]PYRENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148114", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148114, "molecule_chembl_id": "CHEMBL1240885", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "244.23", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-57380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152622, "molecule_chembl_id": "CHEMBL255683", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.74", "alogp": "5.47", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "(20S)-Protopanaxatriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152880", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PACLITAXEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152880, "molecule_chembl_id": "CHEMBL428647", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "853.92", "alogp": "3.74", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PACLITAXEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154445", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154445, "molecule_chembl_id": "CHEMBL1551597", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "491.65", "alogp": "6.03", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NNC-55-0396"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8130.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152757", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TICAGRELOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152757, "molecule_chembl_id": "CHEMBL398435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "522.58", "alogp": "2.01", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TICAGRELOR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153964", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153964, "molecule_chembl_id": "CHEMBL3991934", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "591.54", "alogp": "4.90", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ACTB-1003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn2c1CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153136", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04457845", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153136, "molecule_chembl_id": "CHEMBL1651534", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "455.44", "alogp": "5.39", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "PF-04457845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148738", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINOLINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148738, "molecule_chembl_id": "CHEMBL286204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.12", "alogp": "0.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QUINOLINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154091", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVESPIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154091, "molecule_chembl_id": "CHEMBL383824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.76", "alogp": "1.91", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "17-DMAG HCl (Alvespimycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959887", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "6BIO", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959887, "molecule_chembl_id": "CHEMBL409450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.18", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-3-inhibitor-IX"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\\O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959820", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STILONIUM IODIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959820, "molecule_chembl_id": "CHEMBL1257065", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.39", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MG-624"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148150", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148150, "molecule_chembl_id": "CHEMBL595092", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "692.88", "alogp": "8.06", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AM679"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cnc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OC[C@@H]5Cc6ccccc6N5C(C)=O)ccc43)cc2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151542", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MACITENTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151542, "molecule_chembl_id": "CHEMBL2103873", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "588.28", "alogp": "3.57", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MACITENTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRITINOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149619, "molecule_chembl_id": "CHEMBL488093", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.48", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PYRITINOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151557", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151557, "molecule_chembl_id": "CHEMBL3622373", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.05", "alogp": "5.48", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "SGC-CBP30"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151563", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-38877605", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151563, "molecule_chembl_id": "CHEMBL2133806", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "377.36", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ-38877605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151249", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BROXYQUINOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151249, "molecule_chembl_id": "CHEMBL223448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.95", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BROXYQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(Br)cc(Br)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964250", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.76", "bao_label": "assay format", "molecule_pref_name": "AUROTHIOGLUCOSE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964250, "molecule_chembl_id": "CHEMBL2354773", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.18", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "aurothioglucose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1740.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962838", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962838, "molecule_chembl_id": "CHEMBL471411", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.41", "alogp": "4.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "INH1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.182", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963963", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DIENESTROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963963, "molecule_chembl_id": "CHEMBL1018", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "dienestrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147616", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147616, "molecule_chembl_id": "CHEMBL3633459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.36", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06281355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(OC)c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMESTRIENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151262, "molecule_chembl_id": "CHEMBL2105394", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.50", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "promestriene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152297", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFURATEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152297, "molecule_chembl_id": "CHEMBL514315", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.28", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nifuratel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961203, "molecule_chembl_id": "CHEMBL1620289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.37", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML133 HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.773", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CNCc2cccc3ccccc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956587, "molecule_chembl_id": "CHEMBL254381", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "320.35", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU 74654"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(/C=N/NC(=O)c2ccccc2Oc2ccccc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963736", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMPROLIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963736, "molecule_chembl_id": "CHEMBL97350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.79", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMPROLIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1ncc(C[n+]2ccccc2C)c(N)n1.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146330", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146330, "molecule_chembl_id": "CHEMBL1583361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.32", "alogp": "1.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-629912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccsc1C(=O)OCC(=O)N1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959174", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959174, "molecule_chembl_id": "CHEMBL4303243", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.53", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "neo-gilurytmal"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[N+]12C3C[C@H](C4C(O)[C@]5(C[C@@H]41)c1ccccc1N(C)[C@@H]35)[C@H](CC)[C@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963997", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAFFEIC ACID PHENETHYL ESTER", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963997, "molecule_chembl_id": "CHEMBL319244", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.31", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6; CAPE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963998", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEPHARANTHINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963998, "molecule_chembl_id": "CHEMBL449782", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "606.72", "alogp": "6.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CEPHARANTHINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.327", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961398", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CAMPTOTHECIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961398, "molecule_chembl_id": "CHEMBL65", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-49.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961478", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BISACODYL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961478, "molecule_chembl_id": "CHEMBL942", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.40", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BISACODYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.053", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150926", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDROCILAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150926, "molecule_chembl_id": "CHEMBL102358", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "191.23", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Brolitene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccccc1)NCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146470", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PD-168,077", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146470, "molecule_chembl_id": "CHEMBL45244", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.42", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-168,077"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152111", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENBUFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152111, "molecule_chembl_id": "CHEMBL277522", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.28", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENBUFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961215", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961215, "molecule_chembl_id": "CHEMBL1237118", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dolasetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147397", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147397, "molecule_chembl_id": "CHEMBL4303691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "127.10", "alogp": "-0.79", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-Hydroxy-1H-imidazole-4-carboxamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1[nH]cnc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150620", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150620, "molecule_chembl_id": "CHEMBL128136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "177.29", "alogp": "1.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sulforaphane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[S@@+]([O-])CCCCN=C=S", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150736", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TETRAHYDROZOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150736, "molecule_chembl_id": "CHEMBL1266", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TETRAHYDROZOLINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)CCCC2C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150489", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MIFEPRISTONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150489, "molecule_chembl_id": "CHEMBL1276308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.60", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MIFEPRISTONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145908", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-06651600", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145908, "molecule_chembl_id": "CHEMBL4085457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "285.35", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "PF-06651600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150799", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DUTASTERIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150799, "molecule_chembl_id": "CHEMBL1200969", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.54", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Dutasteride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145644", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145644, "molecule_chembl_id": "CHEMBL602850", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.37", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccc(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146011", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERYTHROMYCIN ETHYLSUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146011, "molecule_chembl_id": "CHEMBL1200688", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "862.06", "alogp": "2.68", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ETHYLSUCCINATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145655", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145655, "molecule_chembl_id": "CHEMBL1456284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "229.24", "alogp": "1.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NKY-80"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncc2c(n1)CC(c1ccco1)CC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958476", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958476, "molecule_chembl_id": "CHEMBL575948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.44", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-359447"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145571", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145571, "molecule_chembl_id": "CHEMBL499458", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "824.97", "alogp": "3.52", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "vincristine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151023", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVAROXABAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151023, "molecule_chembl_id": "CHEMBL198362", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "435.89", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rivaroxaban\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961392", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACEPROMAZINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961392, "molecule_chembl_id": "CHEMBL1883146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "442.54", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Acepromazine maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.039", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147280", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAIDZEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147280, "molecule_chembl_id": "CHEMBL8145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "254.24", "alogp": "2.87", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "4',7-Dihydroxyisoflavanone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152158", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152158, "molecule_chembl_id": "CHEMBL2324344", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "468.60", "alogp": "4.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PK-THPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146652", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146652, "molecule_chembl_id": "CHEMBL94734", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.45", "alogp": "3.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-MPPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145560", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145560, "molecule_chembl_id": "CHEMBL3421968", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.53", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZ191"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959796", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GEDUNIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959796, "molecule_chembl_id": "CHEMBL465226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "482.57", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "gedunin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.391", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956432", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLIC ADENOSINE MONOPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956432, "molecule_chembl_id": "CHEMBL316966", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.21", "alogp": "-0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclic AMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959338", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IFOSFAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959338, "molecule_chembl_id": "CHEMBL1024", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IFOSFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.562", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(NCCCl)OCCCN1CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146185", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146185, "molecule_chembl_id": "CHEMBL1907089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.45", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-298"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc(F)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956330", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956330, "molecule_chembl_id": "CHEMBL3186509", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.33", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-8380"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961199", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRUCALOPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961199, "molecule_chembl_id": "CHEMBL117287", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.88", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Prucalopride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.9272", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960313", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMRUBICIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960313, "molecule_chembl_id": "CHEMBL1186894", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "483.47", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.057", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955914", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VORTIOXETINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955914, "molecule_chembl_id": "CHEMBL2104993", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.46", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vortioxetine hydrobromide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956036, "molecule_chembl_id": "CHEMBL4588937", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Meldonium hydrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960812", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960812, "molecule_chembl_id": "CHEMBL91485", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.34", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TR-14035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959165", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959165, "molecule_chembl_id": "CHEMBL4303571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.44", "alogp": "4.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "tetrindole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-11.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958568", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958568, "molecule_chembl_id": "CHEMBL1741141", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "424.10", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "8-bromo-cGMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2nc(Br)n([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959186", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINCHONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959186, "molecule_chembl_id": "CHEMBL533841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.40", "alogp": "3.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CINCHONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959395", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIFOBATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959395, "molecule_chembl_id": "CHEMBL284768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.65", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mifobate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956018", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FESOTERODINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956018, "molecule_chembl_id": "CHEMBL1201764", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "411.59", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Fesoterodine fumarate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960680", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960680, "molecule_chembl_id": "CHEMBL2048872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.49", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD1208"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959407", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959407, "molecule_chembl_id": "CHEMBL4303632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "548.67", "alogp": "2.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Peruvoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1C(O)[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)OC(C)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956225", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLUMATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956225, "molecule_chembl_id": "CHEMBL3545413", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "562.60", "alogp": "5.00", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Flumatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145968", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DENATONIUM BENZOATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145968, "molecule_chembl_id": "CHEMBL1371493", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.59", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DENATONIUM BENZOATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959484", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959484, "molecule_chembl_id": "CHEMBL164603", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(2;8-diisopropyl-3-thioxo-2;3-dihydro-4H-1;4-benzoxazin-4-yl)acetic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7761", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cccc2c1OC(C(C)C)C(=S)N2CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963984", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963984, "molecule_chembl_id": "CHEMBL1628565", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.43", "alogp": "3.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY344864"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8887", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959425", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PRALATREXATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959425, "molecule_chembl_id": "CHEMBL1201746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.48", "alogp": "0.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Pralatrexate(Folotyn)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-21.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147168", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUCROSE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147168, "molecule_chembl_id": "CHEMBL253582", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "342.30", "alogp": "-5.40", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "sucrose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960507", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960507, "molecule_chembl_id": "CHEMBL1464276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.27", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OAC2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.151", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150831", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MAFENIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150831, "molecule_chembl_id": "CHEMBL1593568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.70", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MAFENIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147484", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOTOLIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147484, "molecule_chembl_id": "CHEMBL3301618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.61", "alogp": "5.01", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Motolimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2N=C(N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959365", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959365, "molecule_chembl_id": "CHEMBL463165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.37", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Evodiamine (Isoevodiamine)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.656", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959694", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959694, "molecule_chembl_id": "CHEMBL1397270", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.25", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-08-2750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958968", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LACTITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958968, "molecule_chembl_id": "CHEMBL1661", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.31", "alogp": "-5.76", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "D-LACTITOL MONOHYDRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.012", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956491", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956491, "molecule_chembl_id": "CHEMBL318457", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "542.85", "alogp": "8.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW 4064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152372", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CROMOLYN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152372, "molecule_chembl_id": "CHEMBL74", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.33", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CROMOLYN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960515", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960515, "molecule_chembl_id": "CHEMBL400402", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "475.98", "alogp": "5.58", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TG 100572 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.241", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964173", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VILANTEROL TRIFENATATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964173, "molecule_chembl_id": "CHEMBL1084172", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "774.78", "alogp": "4.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vilanterol (trifenatate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.501", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959533", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959533, "molecule_chembl_id": "CHEMBL4303317", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "-2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L (+)-Rhamnose Monohydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.291", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964143", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOTAXIME SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964143, "molecule_chembl_id": "CHEMBL1010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.46", "alogp": "-0.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "cefotaxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.064", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958506", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958506, "molecule_chembl_id": "CHEMBL1367933", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "323.48", "alogp": "5.15", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PD011411"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959557", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEGARELIX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959557, "molecule_chembl_id": "CHEMBL415606", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1632.29", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Degarelix"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6067", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964092", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964092, "molecule_chembl_id": "CHEMBL508207", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "467.66", "alogp": "5.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "C-021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151781", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOXIROLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151781, "molecule_chembl_id": "CHEMBL70159", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "374.48", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carmoxirole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149005", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04620110", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149005, "molecule_chembl_id": "CHEMBL1835919", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04620110"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147487", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147487, "molecule_chembl_id": "CHEMBL3916849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.36", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BX-912"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959366", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BROMPHENIRAMINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959366, "molecule_chembl_id": "CHEMBL1200961", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "435.32", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BROMPHENIRAMINE MALEATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.102", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955978", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMSACRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955978, "molecule_chembl_id": "CHEMBL43", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "393.47", "alogp": "4.51", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amsacrine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959354", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COENZYME_A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959354, "molecule_chembl_id": "CHEMBL1213327", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "767.54", "alogp": "-1.67", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "coenzyme-a"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.851", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960273", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960273, "molecule_chembl_id": "CHEMBL444309", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.92", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-741742"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955788", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HYDROXYPROGESTERONE CAPROATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955788, "molecule_chembl_id": "CHEMBL1200848", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.97", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "17-Hydroxyprogesterone caproate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955745", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MANNITOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955745, "molecule_chembl_id": "CHEMBL689", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.17", "alogp": "-3.59", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cordycepic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955997", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BEXAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955997, "molecule_chembl_id": "CHEMBL1023", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Bexarotene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147666", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147666, "molecule_chembl_id": "CHEMBL1330145", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.39", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID 5951923"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCS(=O)(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151968", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151968, "molecule_chembl_id": "CHEMBL2336409", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.53", "alogp": "5.65", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SGI-1027"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147966", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROBUCOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147966, "molecule_chembl_id": "CHEMBL608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "516.86", "alogp": "9.91", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "PROBUCOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149552", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149552, "molecule_chembl_id": "CHEMBL13486", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3',4',7-Trihydroxyisoflavone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154067", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VANDETANIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154067, "molecule_chembl_id": "CHEMBL24828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.36", "alogp": "5.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Vandetanib\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148156", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148156, "molecule_chembl_id": "CHEMBL1255945", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.09", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(ethylsulfanyl)methanimidamide hydrobromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.CCSC(=N)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154659", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "BERZOSERTIB", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154659, "molecule_chembl_id": "CHEMBL3989870", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "463.56", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "VE-822"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.75", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149743", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ONATASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149743, "molecule_chembl_id": "CHEMBL3586404", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.48", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CC-223"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149117", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OXINIACIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149117, "molecule_chembl_id": "CHEMBL1591725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "139.11", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXINIACIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc[n+]([O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149757", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINDESINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149757, "molecule_chembl_id": "CHEMBL219146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "753.94", "alogp": "2.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vindesine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149764", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149764, "molecule_chembl_id": "CHEMBL1741141", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.10", "alogp": "-0.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "8-bromo-cGMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(O)c2nc(Br)n([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955529", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UBENIMEX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955529, "molecule_chembl_id": "CHEMBL29292", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.38", "alogp": "0.53", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ubenimex\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152016", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152016, "molecule_chembl_id": "CHEMBL351042", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "197.19", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LEVODOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147571", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147571, "molecule_chembl_id": "CHEMBL2023158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "333.39", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AS-1892802"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961354", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961354, "molecule_chembl_id": "CHEMBL1256027", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.12", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "m-Chlorophenylbiguanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.392", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961120", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961120, "molecule_chembl_id": "CHEMBL3125890", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "554.53", "alogp": "6.65", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TAK-632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.915", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148571", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148571, "molecule_chembl_id": "CHEMBL32854", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.42", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cilomilast (SB-207499)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151405", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARUNAVIR ETHANOLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151405, "molecule_chembl_id": "CHEMBL1201127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "593.74", "alogp": "2.38", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "DARUNAVIR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153087", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LUMINESPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153087, "molecule_chembl_id": "CHEMBL252164", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "4.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "NVP-AUY922"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152775", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FIBOFLAPON SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152775, "molecule_chembl_id": "CHEMBL1922673", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "659.83", "alogp": "8.98", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Fiboflapon sodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152658", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152658, "molecule_chembl_id": "CHEMBL3360305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HSP-990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153615", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153615, "molecule_chembl_id": "CHEMBL270948", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "326.48", "alogp": "6.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CP 376395"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153052", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153052, "molecule_chembl_id": "CHEMBL3655950", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.29", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACY-738"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148548", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148548, "molecule_chembl_id": "CHEMBL4303437", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.51", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154519", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154519, "molecule_chembl_id": "CHEMBL274619", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956095", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956095, "molecule_chembl_id": "CHEMBL4530862", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"max_phase": 0, "image_file": "unknown.svg", "compound_key": "Povan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145874", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOBUTAMBEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145874, "molecule_chembl_id": "CHEMBL1985617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.25", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isobutamben"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COC(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145916", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIPAZEPAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145916, "molecule_chembl_id": "CHEMBL159298", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.32", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ripazepam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1nc(C)c2c1C(c1ccccc1)=NCC(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151655", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PURVALANOLA", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151655, "molecule_chembl_id": "CHEMBL23327", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.90", "alogp": "4.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "purvalanol A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148591", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148591, "molecule_chembl_id": "CHEMBL1436478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclopenthiazide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CC1CCCC1)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153105", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153105, "molecule_chembl_id": "CHEMBL2030402", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.72", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL413 (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153355", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153355, "molecule_chembl_id": "CHEMBL1643740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "206.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "AN3661"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cccc2c1B(O)OC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149840", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARTEOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149840, "molecule_chembl_id": "CHEMBL1201002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.84", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carteolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149929", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADAPALENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149929, "molecule_chembl_id": "CHEMBL1265", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.53", "alogp": "6.68", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ADAPALENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146918", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146918, "molecule_chembl_id": "CHEMBL504585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.31", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-135531"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149193", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149193, "molecule_chembl_id": "CHEMBL287837", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.08", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD004337"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc2c(c1Cl)CNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154027", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BAY-11-7085", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154027, "molecule_chembl_id": "CHEMBL270299", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BAY-11-7085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154319", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.39", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154319, "molecule_chembl_id": "CHEMBL149201", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SU-16f"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4100.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150006", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INIPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150006, "molecule_chembl_id": "CHEMBL1170047", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.03", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iniparib (BSI-201)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(I)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFPROZIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148132, "molecule_chembl_id": "CHEMBL276568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.43", "alogp": "0.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CEFPROZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147944", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SB-222200", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147944, "molecule_chembl_id": "CHEMBL10284", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.49", "alogp": "6.09", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SB-222200"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961502", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961502, "molecule_chembl_id": "CHEMBL131171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "438.57", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RP67580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1CC(=N)N1C[C@@H]2C(=O)CCC(c3ccccc3)(c3ccccc3)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152805", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEVANTOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152805, "molecule_chembl_id": "CHEMBL2106060", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.90", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Bevantolol HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148305", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIBROMOETHANOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148305, "molecule_chembl_id": "CHEMBL1697852", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.76", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2;2;2-Tribromoethanol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC(Br)(Br)Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148306", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148306, "molecule_chembl_id": "CHEMBL519240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.43", "alogp": "1.71", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-987306"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151452", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151452, "molecule_chembl_id": "CHEMBL4303544", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.75", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-phenyl-1;2;3;4-tetrahydroisoquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc(C2CNCc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148025", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIOSMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148025, "molecule_chembl_id": "CHEMBL231884", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "608.55", "alogp": "-1.09", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "DIOSMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153003", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KRESOXIM-METHYL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153003, "molecule_chembl_id": "CHEMBL203191", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "313.35", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KRESOXIM-METHYL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151889", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151889, "molecule_chembl_id": "CHEMBL4301645", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "216.33", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-LSD1 dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960982", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960982, "molecule_chembl_id": "CHEMBL543382", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.88", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nitrocaramiphen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956164", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956164, "molecule_chembl_id": "CHEMBL4076247", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.39", "alogp": "4.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-6640"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ESTRADIOL VALERATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146421, "molecule_chembl_id": "CHEMBL1511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "356.51", "alogp": "5.35", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ESTRADIOL VALERATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COCARBOXYLASE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956619, "molecule_chembl_id": "CHEMBL1236376", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.32", "alogp": "0.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Thiamine Pyrophosphate (chloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960719", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960719, "molecule_chembl_id": "CHEMBL553725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.68", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-BFI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.c1ccc2oc(C3=NCCN3)cc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960166", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "INIPARIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960166, "molecule_chembl_id": "CHEMBL1170047", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.03", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Iniparib (BSI-201)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc(I)c([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146282", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDRALAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146282, "molecule_chembl_id": "CHEMBL276832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "0.92", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Hydralazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NNc1nncc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152397", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152397, "molecule_chembl_id": "CHEMBL4303452", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.65", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "maxacalcitol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[2H]C([2H])([2H])C(O)(CCO[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C)C([2H])([2H])[2H]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147764", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147764, "molecule_chembl_id": "CHEMBL1172443", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.57", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD121166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959977", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RWJ-67657", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959977, "molecule_chembl_id": "CHEMBL190333", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RWJ-67657"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.673", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153213", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ETHOHEXADIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153213, "molecule_chembl_id": "CHEMBL1451179", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.23", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-ethyl-1;3-hexanediol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(O)C(CC)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153249", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STEPRONIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153249, "molecule_chembl_id": "CHEMBL2107531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "273.33", "alogp": "1.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Stepronin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(SC(=O)c1cccs1)C(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960024", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LCL-161", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960024, "molecule_chembl_id": "CHEMBL2431768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.64", "alogp": "3.85", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "LCL161"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.812", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959931", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARBETAPENTANE CITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959931, "molecule_chembl_id": "CHEMBL1256696", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.60", "alogp": "3.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBETAPENTANE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDORAMIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151250, "molecule_chembl_id": "CHEMBL279516", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.46", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "indoramin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956645", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956645, "molecule_chembl_id": "CHEMBL3356009", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "601.13", "alogp": "6.41", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Kira8"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961332", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAMIBAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961332, "molecule_chembl_id": "CHEMBL25202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tamibarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960895", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMIQUIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960895, "molecule_chembl_id": "CHEMBL1282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "240.31", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IMIQUIMOD HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960852", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960852, "molecule_chembl_id": "CHEMBL4303227", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "951.21", "alogp": "2.32", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Antagonist-G"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.4018", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960068", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIPEMIDIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960068, "molecule_chembl_id": "CHEMBL30116", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.32", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PIPEMIDIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960891", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960891, "molecule_chembl_id": "CHEMBL1165368", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.40", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMAB-anabaseine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "27.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1ccc(/C=C2\\CCCN=C2c2cccnc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960964", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960964, "molecule_chembl_id": "CHEMBL388727", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "parthenolide-(alternate-stereo)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.8326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960595", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IMPENTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960595, "molecule_chembl_id": "CHEMBL417096", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "153.23", "alogp": "1.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "impentamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956446", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IODOQUINOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956446, "molecule_chembl_id": "CHEMBL86754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.95", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Diiodohydroxyquinoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1c(I)cc(I)c2cccnc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960608", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOYLPAS", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960608, "molecule_chembl_id": "CHEMBL1487804", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "257.25", "alogp": "2.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOYLPAS"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146132, "molecule_chembl_id": "CHEMBL1723412", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.55", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piricapiron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146388", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146388, "molecule_chembl_id": "CHEMBL406861", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "288.73", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD082508"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955696", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AES-103", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955696, "molecule_chembl_id": "CHEMBL185885", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "5-(Hydroxymethyl)furan-2-carbaldehyde"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=Cc1ccc(CO)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955502", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955502, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NG-nitro-arginine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961172", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961172, "molecule_chembl_id": "CHEMBL1490875", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.06", "alogp": "0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "imetit"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.847", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Br.N=C(N)SCCc1c[nH]cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959881", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLEMIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959881, "molecule_chembl_id": "CHEMBL1407943", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "325.84", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "CLEMIZOLE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959645", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SERTACONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959645, "molecule_chembl_id": "CHEMBL1200725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.79", "alogp": "7.02", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sertaconazole nitrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958522", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958522, "molecule_chembl_id": "CHEMBL1237007", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.67", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-(4-CHLORO-PHENYLAMINO)-NICOTINIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1Nc1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958245", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "4-HYDROXY-6-METHYLPYRAN-2-ONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958245, "molecule_chembl_id": "CHEMBL54907", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "126.11", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-HYDROXY-6-METHYLPYRAN-2-ONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc(=O)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146260", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146260, "molecule_chembl_id": "CHEMBL91485", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.34", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TR-14035"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964507", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964507, "molecule_chembl_id": "CHEMBL259018", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "436.32", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML025"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "103.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960539", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEOSTIGMINE BROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960539, "molecule_chembl_id": "CHEMBL54126", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.20", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEOSTIGMINE BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959879", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959879, "molecule_chembl_id": "CHEMBL3392845", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "481.52", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGI-6780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.568", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959061", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LOXOPROFEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959061, "molecule_chembl_id": "CHEMBL19299", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "LOXOPROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.365", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958517", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958517, "molecule_chembl_id": "CHEMBL572879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.24", "alogp": "1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153851", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMBOGIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153851, "molecule_chembl_id": "CHEMBL555017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.76", "alogp": "7.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Gambogic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149751", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROMETHAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149751, "molecule_chembl_id": "CHEMBL1200750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.89", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROMETHAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESCITALOPRAM OXALATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962842, "molecule_chembl_id": "CHEMBL1200322", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "414.43", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ESCITALOPRAM OXALATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.866", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151117", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151117, "molecule_chembl_id": "CHEMBL292477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.41", "alogp": "4.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-693403"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960158", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960158, "molecule_chembl_id": "CHEMBL261010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "262.74", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VUF 10166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2nc3ccccc3nc2Cl)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963155", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRYPTANTHRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963155, "molecule_chembl_id": "CHEMBL306946", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.24", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tryptanthrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2ccccc2-n2c1nc1ccccc1c2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964383", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALDOXORUBICIN", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964383, "molecule_chembl_id": "CHEMBL2107818", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "750.76", "alogp": "0.39", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "Aldoxorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961506", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961506, "molecule_chembl_id": "CHEMBL4303708", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "521.42", "alogp": "5.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Zaurategrast"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147724", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147724, "molecule_chembl_id": "CHEMBL1522077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.32", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-304258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961597", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961597, "molecule_chembl_id": "CHEMBL3307202", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "184.28", "alogp": "3.38", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trans-2-Undecenoic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961598", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961598, "molecule_chembl_id": "CHEMBL3185148", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "486.32", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-98014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-9.733", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960932", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LY-294002", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960932, "molecule_chembl_id": "CHEMBL98350", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY294002"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.571", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956521", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956521, "molecule_chembl_id": "CHEMBL3974629", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.61", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Mps1-IN-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961406", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "A-317491", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961406, "molecule_chembl_id": "CHEMBL596234", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "565.58", "alogp": "6.29", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "A-317491"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961473", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ERYTHROMYCIN ESTOLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961473, "molecule_chembl_id": "CHEMBL2218877", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1056.40", "alogp": "2.75", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "ERYTHROMYCIN ESTOLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955995", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ZILEUTON", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955995, "molecule_chembl_id": "CHEMBL93", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Zileuton\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147976", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147976, "molecule_chembl_id": "CHEMBL573", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "123.11", "alogp": "0.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NIACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151386", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151386, "molecule_chembl_id": "CHEMBL33240", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.28", "alogp": "3.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LTA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(Nc1ccccc1)c1cccs1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955874", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SONIDEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955874, "molecule_chembl_id": "CHEMBL2105737", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "485.51", "alogp": "5.82", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Sonidegib phosphate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148566", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "UMIFENOVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148566, "molecule_chembl_id": "CHEMBL1214598", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "477.42", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "Arbidol (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153083", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPITINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153083, "molecule_chembl_id": "CHEMBL2408045", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.94", "alogp": "3.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD8931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153090", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULOCTIDIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153090, "molecule_chembl_id": "CHEMBL404849", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "337.57", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SULOCTIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148847", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148847, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "progesterone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154335", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TYRPHOSTIN AG 879", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154335, "molecule_chembl_id": "CHEMBL539947", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.47", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tyrphostin AG 879 (AG 879)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153419", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRAMETINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153419, "molecule_chembl_id": "CHEMBL2103875", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "615.40", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Trametinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153516", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153516, "molecule_chembl_id": "CHEMBL4303662", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.55", "alogp": "7.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Autotaxin modulator 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153423", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153423, "molecule_chembl_id": "CHEMBL63154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.62", "alogp": "7.51", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FGIN-1-27"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149026", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149026, "molecule_chembl_id": "CHEMBL4303380", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "584.91", "alogp": "4.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "ZCL-278"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153438", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153438, "molecule_chembl_id": "CHEMBL179583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.80", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chk2 inhibitor II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148650", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148650, "molecule_chembl_id": "CHEMBL4303270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "230.31", "alogp": "0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Ergothioneine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148706", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148706, "molecule_chembl_id": "CHEMBL1212994", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.86", "alogp": "4.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU10010"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148856", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WORTMANNIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148856, "molecule_chembl_id": "CHEMBL428496", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.44", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WORTMANNIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148723", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148723, "molecule_chembl_id": "CHEMBL1303930", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-322683"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149740", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "6,4'-DIMETHOXYFLAVONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149740, "molecule_chembl_id": "CHEMBL1410006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6,4'-DIMETHOXYFLAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150023", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRIMIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150023, "molecule_chembl_id": "CHEMBL856", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "218.26", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRIMIDONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147741", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELATINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147741, "molecule_chembl_id": "CHEMBL2079588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.83", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Telatinib (BAY 57-9352)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152481", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEP-32496", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152481, "molecule_chembl_id": "CHEMBL2029988", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.46", "alogp": "5.91", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "CEP-32496"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152483", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-650394", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152483, "molecule_chembl_id": "CHEMBL558642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "382.46", "alogp": "6.25", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GSK650394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153165", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153165, "molecule_chembl_id": "CHEMBL4060033", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "352.27", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHP099"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149258", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149258, "molecule_chembl_id": "CHEMBL4303183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "828.01", "alogp": "3.01", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "josamycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963131", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FASUDIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963131, "molecule_chembl_id": "CHEMBL541388", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.84", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "FASUDIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960167", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NORFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960167, "molecule_chembl_id": "CHEMBL9", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.34", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Norfloxacin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961232", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLASDEGIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961232, "molecule_chembl_id": "CHEMBL2043437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "374.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Glasdegib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151079", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERGOCALCIFEROL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151079, "molecule_chembl_id": "CHEMBL1536", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.66", "alogp": "7.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ERGOCALCIFEROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153738", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIMASERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153738, "molecule_chembl_id": "CHEMBL2107832", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "431.21", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "PIMASERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147420", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147420, "molecule_chembl_id": "CHEMBL2386874", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.37", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SEN-1269"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154030", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154030, "molecule_chembl_id": "CHEMBL433282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.21", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD081125"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154037", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEQUITAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154037, "molecule_chembl_id": "CHEMBL73451", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.48", "alogp": "4.63", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mequitazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152458", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152458, "molecule_chembl_id": "CHEMBL4303303", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "569.65", "alogp": "4.91", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "HER2 Inhibitor 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1ccn2ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149207", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149207, "molecule_chembl_id": "CHEMBL4303308", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.46", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-J2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152188", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152188, "molecule_chembl_id": "CHEMBL2134202", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4708671"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cncnc1N1CCN(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146824", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BURAMATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146824, "molecule_chembl_id": "CHEMBL2103933", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BURAMATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccccc1)OCCO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148839", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PERILLYL ALCOHOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148839, "molecule_chembl_id": "CHEMBL236687", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "152.24", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "perillyl-alcohol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(C)[C@@H]1CC=C(CO)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959622, "molecule_chembl_id": "CHEMBL4303365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.99", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ki16198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCSCc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148625", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMABROM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148625, "molecule_chembl_id": "CHEMBL2104825", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.20", "alogp": "-0.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PAMABROM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(N)CO.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151332", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151332, "molecule_chembl_id": "CHEMBL4303405", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "-0.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N;N?\u00c5\u0092-Diacetyl-L-cystine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963939", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "(+)-TAXIFOLIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963939, "molecule_chembl_id": "CHEMBL66", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.25", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taxifolin (Dihydroquercetin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153665", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVOCIDIB HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153665, "molecule_chembl_id": "CHEMBL2105698", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.31", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "alvocidib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153302", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153302, "molecule_chembl_id": "CHEMBL481512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.63", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MCOPPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(N2CCC(n3c([C@@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958537", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958537, "molecule_chembl_id": "CHEMBL586702", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.42", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZSTK474"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958538", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958538, "molecule_chembl_id": "CHEMBL342033", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.43", "alogp": "0.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NBTGR"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146904", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RWJ-67657", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146904, "molecule_chembl_id": "CHEMBL190333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.51", "alogp": "5.12", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "RWJ-67657"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146985", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOGUANINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146985, "molecule_chembl_id": "CHEMBL727", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "167.20", "alogp": "0.60", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TIOGUANINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956459", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956459, "molecule_chembl_id": "CHEMBL337173", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "321.76", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 663284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154139", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVESPIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154139, "molecule_chembl_id": "CHEMBL383824", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "616.76", "alogp": "1.91", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "17-DMAG HCl (Alvespimycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154491", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154491, "molecule_chembl_id": "CHEMBL275311", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "348.49", "alogp": "6.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TTNPB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4070.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959274", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREDNISONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959274, "molecule_chembl_id": "CHEMBL635", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "358.43", "alogp": "1.77", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PREDNISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150081", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SSR180711", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150081, "molecule_chembl_id": "CHEMBL559478", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "325.21", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "SSR-180711"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150052", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEZACAFTOR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150052, "molecule_chembl_id": "CHEMBL3544914", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "520.50", "alogp": "3.40", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VX-661"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151933", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTOCONAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151933, "molecule_chembl_id": "CHEMBL1295", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.79", "alogp": "6.64", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "BUTOCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148127", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "KENPAULLONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148127, "molecule_chembl_id": "CHEMBL296586", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.18", "alogp": "4.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "kenpaullone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963772", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963772, "molecule_chembl_id": "CHEMBL3286929", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "603.77", "alogp": "8.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "deltarasin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(Cn2c(-c3ccc(OC[C@H](C4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146835", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LINALOOL (+)", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146835, "molecule_chembl_id": "CHEMBL235672", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-Linalool"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@](C)(O)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963751", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHENTOLAMINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963751, "molecule_chembl_id": "CHEMBL1204146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.82", "alogp": "2.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHENTOLAMINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963752", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORQUINALDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963752, "molecule_chembl_id": "CHEMBL224325", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.08", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORQUINALDOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.964", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(Cl)cc(Cl)c(O)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958660", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FAMPROFAZONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958660, "molecule_chembl_id": "CHEMBL1475693", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.53", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FAMPROFAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961616", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MLN-2480", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961616, "molecule_chembl_id": "CHEMBL3348923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "506.30", "alogp": "3.98", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "TAK-580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963956", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963956, "molecule_chembl_id": "CHEMBL117649", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "173.26", "alogp": "1.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-Hydroxy-2;2;6;6-tetramethyl-piperidinooxy;98%;free radical"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.758", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CC(O)CC(C)(C)N1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MICONAZOLE NITRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959501, "molecule_chembl_id": "CHEMBL1559", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "479.15", "alogp": "6.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "MICONAZOLE NITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.98", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956500", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956500, "molecule_chembl_id": "CHEMBL379761", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "384.87", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC-FPR 43"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964093", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964093, "molecule_chembl_id": "CHEMBL3183531", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK J4 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147081", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINALUKAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147081, "molecule_chembl_id": "CHEMBL283754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "412.56", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cinalukast\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960290", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOPROPYL MYRISTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960290, "molecule_chembl_id": "CHEMBL207602", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.46", "alogp": "5.64", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isopropyl myristate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.206", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146636", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DABIGATRAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146636, "molecule_chembl_id": "CHEMBL48361", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.52", "alogp": "2.99", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "BIBR 953 (Dabigatran etexilate; Pradaxa)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150721", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TODRALAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150721, "molecule_chembl_id": "CHEMBL1318529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "268.70", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TODRALAZINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)NNc1nncc2ccccc12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961079", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIPLASININ", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961079, "molecule_chembl_id": "CHEMBL325441", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "439.39", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Tiplaxtinin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.94", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961273", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDARAVONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961273, "molecule_chembl_id": "CHEMBL290916", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.20", "alogp": "1.80", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "EDARAVONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccccc2)C(=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955584", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955584, "molecule_chembl_id": "CHEMBL4563787", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "356.81", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID9863537"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.97", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(C(=O)C1C(=O)c2c(Cl)cccc2N(C)C1=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148050", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LABETALOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148050, "molecule_chembl_id": "CHEMBL1200323", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.87", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002564217"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152357", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TEGOBUVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152357, "molecule_chembl_id": "CHEMBL1957287", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.41", "alogp": "6.73", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "Tegobuvir"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151872", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151872, "molecule_chembl_id": "CHEMBL375312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.38", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK429286A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147601", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147601, "molecule_chembl_id": "CHEMBL477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.25", "alogp": "-1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Adenosine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961110", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961110, "molecule_chembl_id": "CHEMBL1617363", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.37", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DAU-5884"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N1Cc3ccccc3NC1=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961498", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEDORINONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961498, "molecule_chembl_id": "CHEMBL144399", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "medorinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.126", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccc2nc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145796", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145796, "molecule_chembl_id": "CHEMBL3289608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "446.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Calycosin 7-O-?-D-Glucoside"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961201, "molecule_chembl_id": "CHEMBL4303220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "508.56", "alogp": "3.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Difluprednate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.75", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(=O)O[C@@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151194", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANISINDIONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151194, "molecule_chembl_id": "CHEMBL712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "252.27", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ANISINDIONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2C(=O)c3ccccc3C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146695, "molecule_chembl_id": "CHEMBL1405034", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "234.73", "alogp": "3.03", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "UB-165"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C2=CCC[C@H]3CC[C@@H]2N3)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147153", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MOZAVAPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147153, "molecule_chembl_id": "CHEMBL420762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.55", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Mozavaptan hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151632", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GR-79236", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151632, "molecule_chembl_id": "CHEMBL2163568", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.36", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR-79236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148399", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148399, "molecule_chembl_id": "CHEMBL2338352", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.66", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-47965567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961092", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961092, "molecule_chembl_id": "CHEMBL1801932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.54", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BS-181"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153421", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIRAPARIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153421, "molecule_chembl_id": "CHEMBL1094636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "320.40", "alogp": "2.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "niraparib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150144", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FUDOSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150144, "molecule_chembl_id": "CHEMBL1555183", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.24", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fudosteine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CSCCCO)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960656", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULFACETAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960656, "molecule_chembl_id": "CHEMBL455", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "214.25", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150914", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBAZOCHROME SULFONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150914, "molecule_chembl_id": "CHEMBL1697827", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.30", "alogp": "-1.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carbazochrome sodium sulfonate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2=CC(=O)/C(=N\\NC(N)=O)C=C2CC1S(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963570", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LYSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963570, "molecule_chembl_id": "CHEMBL8085", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "146.19", "alogp": "-0.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-lysine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.479", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958424", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958424, "molecule_chembl_id": "CHEMBL479014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.03", "alogp": "2.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-bromo-7-Nitroindazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2c(Br)n[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150935", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHTHALYLSULFACETAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150935, "molecule_chembl_id": "CHEMBL2106951", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.36", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHTHALYLSULFACETAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955749", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BERGAPTEN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955749, "molecule_chembl_id": "CHEMBL24171", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "216.19", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "5-Methoxypsoralen"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c2ccoc2cc2oc(=O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960768", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960768, "molecule_chembl_id": "CHEMBL1876219", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "206.29", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TC2559 fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1cncc(/C=C/CCNC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960770", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GW632580X", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960770, "molecule_chembl_id": "CHEMBL261849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.42", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GW2580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956067", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEDIPASVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956067, "molecule_chembl_id": "CHEMBL2374220", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "889.02", "alogp": "8.61", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Ledipasvir\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-42.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956388", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956388, "molecule_chembl_id": "CHEMBL3782109", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.47", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DDP-38003 (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963649", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PIRETANIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963649, "molecule_chembl_id": "CHEMBL349803", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "362.41", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "piretanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154506", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154506, "molecule_chembl_id": "CHEMBL3967196", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "375.46", "alogp": "4.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-601708"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148756", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SAPANISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148756, "molecule_chembl_id": "CHEMBL3545097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.33", "alogp": "2.38", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INK 128 (MLN0128)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149091", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CITICOLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149091, "molecule_chembl_id": "CHEMBL1618340", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "489.34", "alogp": "-1.60", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "citicoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149639", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149639, "molecule_chembl_id": "CHEMBL408982", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "249.34", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TG003"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153636", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153636, "molecule_chembl_id": "CHEMBL3264002", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "471.47", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO5126766 (CH5126766)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955646", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOSPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955646, "molecule_chembl_id": "CHEMBL1329032", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "304.26", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spaglumic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963933", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEVASTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963933, "molecule_chembl_id": "CHEMBL54440", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.52", "alogp": "3.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEVASTATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963246", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SB590885", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963246, "molecule_chembl_id": "CHEMBL477989", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "453.55", "alogp": "4.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SB590885"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-14.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\\O)[nH]2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152763", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152763, "molecule_chembl_id": "CHEMBL3222137", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "517.53", "alogp": "5.39", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "T-5224"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956011", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EUCALYPTOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956011, "molecule_chembl_id": "CHEMBL485259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "154.25", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "1,8-Cineole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(CC1)C(C)(C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961169", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DAPIPRAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961169, "molecule_chembl_id": "CHEMBL1201044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.92", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapiprazole Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956406", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAPINAROF", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956406, "molecule_chembl_id": "CHEMBL259571", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "254.33", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "tapinarof"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964269", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.98", "bao_label": "assay format", "molecule_pref_name": "DIHYDREXIDINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964269, "molecule_chembl_id": "CHEMBL1256832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dihydrexidine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1050.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960381", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960381, "molecule_chembl_id": "CHEMBL1355077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.20", "alogp": "2.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "propyl-benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.447", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCOC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148969", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFALENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148969, "molecule_chembl_id": "CHEMBL1525826", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.31", "alogp": "0.87", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "sulfametopyrazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nccnc1NS(=O)(=O)c1ccc(N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148970", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRANILAST", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148970, "molecule_chembl_id": "CHEMBL415324", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.34", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SAM001246737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153473", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CABOZANTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153473, "molecule_chembl_id": "CHEMBL2105717", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "5.54", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "CABOZANTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153454", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "STREPTOZOSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153454, "molecule_chembl_id": "CHEMBL1603", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "265.22", "alogp": "-2.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STREPTOZOSIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150285", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TERAMEPROCOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150285, "molecule_chembl_id": "CHEMBL90983", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.48", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "MMV1581036"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.64", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147645", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRUCALOPRIDE SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147645, "molecule_chembl_id": "CHEMBL2105748", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.97", "alogp": "2.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PRUCALOPRIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1.O=C(O)CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154399", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "ELTROMBOPAG", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154399, "molecule_chembl_id": "CHEMBL461101", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "442.48", "alogp": "4.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "eltrombopag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3260.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150079", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IRSOGLADINE MALEATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150079, "molecule_chembl_id": "CHEMBL1712923", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.17", "alogp": "2.01", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "irsogladine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.O=C(O)/C=C\\C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152673", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152673, "molecule_chembl_id": "CHEMBL4303615", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.66", "alogp": "5.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ercalcitriol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150206", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150206, "molecule_chembl_id": "CHEMBL4557433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "289.38", "alogp": "1.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "atropine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149369", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALVIMOPAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149369, "molecule_chembl_id": "CHEMBL270190", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.54", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alvimopan (monohydrate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147408", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FURALTADONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147408, "molecule_chembl_id": "CHEMBL1189513", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.29", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FURALTADONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RHEIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151403, "molecule_chembl_id": "CHEMBL418068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.22", "alogp": "1.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Rhein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959528", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959528, "molecule_chembl_id": "CHEMBL4303576", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.49", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nibentan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.873", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955530", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMFENAC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955530, "molecule_chembl_id": "CHEMBL25146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "255.27", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Amfenac sodium\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152019", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N (g)-NITRO-L-ARGININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152019, "molecule_chembl_id": "CHEMBL227744", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "219.20", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-NNA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955546", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "COUMARIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955546, "molecule_chembl_id": "CHEMBL66879", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "164.16", "alogp": "1.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Naringeninic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)/C=C/c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147274", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEROPENEM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147274, "molecule_chembl_id": "CHEMBL127", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.47", "alogp": "-0.31", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MEROPENEM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147175", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MESALAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147175, "molecule_chembl_id": "CHEMBL704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "153.14", "alogp": "0.67", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mesalamine (Lialda)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(O)c(C(=O)O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958185", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958185, "molecule_chembl_id": "CHEMBL73800", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.68", "alogp": "7.63", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MMV019555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963104", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APOMORPHINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963104, "molecule_chembl_id": "CHEMBL1616", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "303.79", "alogp": "2.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APOMORPHINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "98.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147403, "molecule_chembl_id": "CHEMBL3039602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "358.30", "alogp": "-5.67", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Lactobionic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147654", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SALICYLIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147654, "molecule_chembl_id": "CHEMBL424", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "138.12", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SALICYLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147988", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TABIMORELIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147988, "molecule_chembl_id": "CHEMBL281764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "528.70", "alogp": "3.71", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "tabimorelin fumarate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960710", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAZARTINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960710, "molecule_chembl_id": "CHEMBL3787344", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "495.03", "alogp": "4.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Nazartinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)/C=C/CN(C)C)C2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959119", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MONOCTANOIN COMPONENT A", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959119, "molecule_chembl_id": "CHEMBL1570482", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "218.29", "alogp": "1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monoctanoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)OCC(O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146458", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFANILAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146458, "molecule_chembl_id": "CHEMBL21", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "172.21", "alogp": "-0.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFANILAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.73", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961390", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FABOMOTIZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961390, "molecule_chembl_id": "CHEMBL3707307", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.42", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Fabomotizole (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.938", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148235", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TALIPEXOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148235, "molecule_chembl_id": "CHEMBL1504869", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.78", "alogp": "1.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Talipexole dihydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCN1CCc2nc(N)sc2CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153005", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUININE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153005, "molecule_chembl_id": "CHEMBL170", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.42", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUININE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148404", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THREONINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148404, "molecule_chembl_id": "CHEMBL291747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "119.12", "alogp": "-1.22", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-threonine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](O)[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151526", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-7777120", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151526, "molecule_chembl_id": "CHEMBL129198", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.76", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-7777120"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960861", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TUCATINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960861, "molecule_chembl_id": "CHEMBL3989868", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "480.53", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Tucatinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.045", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153647", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153647, "molecule_chembl_id": "CHEMBL3392845", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.52", "alogp": "5.52", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AGI-6780"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961503", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961503, "molecule_chembl_id": "CHEMBL1711621", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.78", "alogp": "1.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "QX-222"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.235", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)C[N+](C)(C)C.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147418", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147418, "molecule_chembl_id": "CHEMBL3335794", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "649.63", "alogp": "5.66", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GSK2837808A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(C(=O)O)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148146", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PRULIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148146, "molecule_chembl_id": "CHEMBL422648", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.47", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Prulifloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151453", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(+)-ALPHA-TOCOPHERYL SUCCINATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151453, "molecule_chembl_id": "CHEMBL81421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.79", "alogp": "8.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "D-alpha-Tocopheryl Succinate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151663", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151663, "molecule_chembl_id": "CHEMBL4303677", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "660.53", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AI-10-49"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)(F)Oc1ccc2nc(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)[nH]c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151678", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZOMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151678, "molecule_chembl_id": "CHEMBL433637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "113.08", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azomycin (2-Nitroimidazole)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ncc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151499, "molecule_chembl_id": "CHEMBL294747", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "485.63", "alogp": "4.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GR 103691"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149051", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149051, "molecule_chembl_id": "CHEMBL485012", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "203.20", "alogp": "1.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "indole-3-pyrubate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C(=O)Cc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149157", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCTANOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149157, "molecule_chembl_id": "CHEMBL324846", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "144.21", "alogp": "2.43", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Caprylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153580", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AVACOPAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153580, "molecule_chembl_id": "CHEMBL3989871", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "581.65", "alogp": "8.05", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "avacopan"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149113", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149113, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "Uridine triphosphate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147432", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147432, "molecule_chembl_id": "CHEMBL3350262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.37", "alogp": "6.34", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "DCPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.49", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150123", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150123, "molecule_chembl_id": "CHEMBL500272", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "619.68", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-6471"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N/C(C)=C\\C(=O)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154518", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154518, "molecule_chembl_id": "CHEMBL2218926", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "305.17", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-1024"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.18", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150019", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150019, "molecule_chembl_id": "CHEMBL1237118", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dolasetron"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154521", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "AMRUBICIN", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154521, "molecule_chembl_id": "CHEMBL1186894", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "483.47", "alogp": "0.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Amrubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "100.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147776", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUDROCORTISONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147776, "molecule_chembl_id": "CHEMBL1201010", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.49", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fludrocortisone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153305", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TANESPIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153305, "molecule_chembl_id": "CHEMBL109480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "585.70", "alogp": "2.54", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "17-AAG (Tanespimycin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152291", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152291, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Raltitrexed (Tomudex)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152776", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDISULAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152776, "molecule_chembl_id": "CHEMBL77517", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.85", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "INDISULAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959635", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CABOTEGRAVIR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959635, "molecule_chembl_id": "CHEMBL2403238", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "405.36", "alogp": "0.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Cabotegravir (GSK744; GSK1265744)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.954", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152768", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152768, "molecule_chembl_id": "CHEMBL4591460", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "406.42", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-0557"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1O[C@]2(CC[C@@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152206", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RUFINAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152206, "molecule_chembl_id": "CHEMBL1201754", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "238.20", "alogp": "0.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Rufinamide (Banzel)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153244", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HONOKIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153244, "molecule_chembl_id": "CHEMBL16901", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.34", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Honokiol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147752", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCORTISONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147752, "molecule_chembl_id": "CHEMBL389621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "362.47", "alogp": "1.78", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCORTISONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152262", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METHARBITAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152262, "molecule_chembl_id": "CHEMBL450", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metharbital"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(CC)C(=O)NC(=O)N(C)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153143", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153143, "molecule_chembl_id": "CHEMBL3040440", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "501.51", "alogp": "4.79", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PND-1186"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149965", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149965, "molecule_chembl_id": "CHEMBL3115312", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "346.65", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-42041935"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964478", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964478, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959878", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "E309", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959878, "molecule_chembl_id": "CHEMBL1451395", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.66", "alogp": "8.22", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "D-delta-Tocopherol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.841", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964486", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964486, "molecule_chembl_id": "CHEMBL505670", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "290.26", "alogp": "1.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC228155"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HOMATROPINE METHYLBROMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959069, "molecule_chembl_id": "CHEMBL1200851", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "370.29", "alogp": "2.03", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HOMATROPINE METHYLBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "37.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153250, "molecule_chembl_id": "CHEMBL260015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2109761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963680", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963680, "molecule_chembl_id": "CHEMBL2170177", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "296.33", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PCI-34051"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.436", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964498", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964498, "molecule_chembl_id": "CHEMBL289356", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "209.30", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CL-17107"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Sc1nnc(Nc2ccccc2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146721", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146721, "molecule_chembl_id": "CHEMBL3970532", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.44", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RG2833 (RGFP109)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964310", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.36", "bao_label": "assay format", "molecule_pref_name": "BEDAQUILINE", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964310, "molecule_chembl_id": "CHEMBL376488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "555.52", "alogp": "7.13", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Bedaquiline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4360.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959827", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959827, "molecule_chembl_id": "CHEMBL1236904", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "551.49", "alogp": "3.76", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CCT137690"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.77", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147760", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147760, "molecule_chembl_id": "CHEMBL398567", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "421.48", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FIPI"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151246", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151246, "molecule_chembl_id": "CHEMBL2430359", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "665.68", "alogp": "3.14", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-00562271"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O.O=S(=O)(O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153721", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "WARFARIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153721, "molecule_chembl_id": "CHEMBL1464", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.33", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "WARFARIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154655", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154655, "molecule_chembl_id": "CHEMBL2441082", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "546.71", "alogp": "5.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "UNC0642"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.97", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150160", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIZATRIPTAN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150160, "molecule_chembl_id": "CHEMBL905", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "269.35", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIZATRIPTAN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153048", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153048, "molecule_chembl_id": "CHEMBL2203422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.49", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BCX 1470 (methanesulfonate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N=C(N)c1cc2ccc(OC(=O)c3cccs3)cc2s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148549", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148549, "molecule_chembl_id": "CHEMBL156592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.39", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Danofloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H]2C[C@@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153056", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153056, "molecule_chembl_id": "CHEMBL9540", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-1138452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148551", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLAFENINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148551, "molecule_chembl_id": "CHEMBL146095", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.81", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLAFENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148556", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BUTYLATED HYDROXYTOLUENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148556, "molecule_chembl_id": "CHEMBL146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "220.36", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BUTYLATED HYDROXYTOLUENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153066", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABEXINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153066, "molecule_chembl_id": "CHEMBL2103863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Abexinostat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153074", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ABEXINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153074, "molecule_chembl_id": "CHEMBL2103863", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "397.43", "alogp": "2.42", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Abexinostat\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153080", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METOCLOPRAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153080, "molecule_chembl_id": "CHEMBL86", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.80", "alogp": "2.00", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METOCLOPRAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148917", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148917, "molecule_chembl_id": "CHEMBL559525", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "380.81", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TMN-355"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC(=O)c1c(F)cccc1Cl)NC1c2ccccc2-c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151838", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151838, "molecule_chembl_id": "CHEMBL4303713", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "764.01", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Miriplatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149736", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149736, "molecule_chembl_id": "CHEMBL1505604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "291.28", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-354064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154436", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154436, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Mycophenolate sodium\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "400.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154068", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AR-12", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154068, "molecule_chembl_id": "CHEMBL1650595", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "460.46", "alogp": "5.76", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "AR-12"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIABENDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151695, "molecule_chembl_id": "CHEMBL625", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "201.25", "alogp": "2.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "THIABENDAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149045", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LERSIVIRINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149045, "molecule_chembl_id": "CHEMBL571987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.36", "alogp": "2.54", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Lersivirine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147012", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARBOXYLIC ACID METABOLITE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147012, "molecule_chembl_id": "CHEMBL907", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "436.90", "alogp": "4.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "EXP3174"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153455", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ORANTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153455, "molecule_chembl_id": "CHEMBL274654", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "310.35", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "TSU-68 (SU6668, Orantinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149963", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149963, "molecule_chembl_id": "CHEMBL327980", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.53", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-4031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147256", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUOCINONIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147256, "molecule_chembl_id": "CHEMBL1501", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "494.53", "alogp": "2.94", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fluocinonide (Vanos)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149102", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149102, "molecule_chembl_id": "CHEMBL4303374", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "355.28", "alogp": "4.59", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "yoda-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148699", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYALURONATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148699, "molecule_chembl_id": "CHEMBL2105008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "403.32", "alogp": "-4.13", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "hyaluronic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147521", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ACETYLCYSTEINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147521, "molecule_chembl_id": "CHEMBL600", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.20", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ACETYLCYSTEINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CS)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153442", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153442, "molecule_chembl_id": "CHEMBL4303377", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "209.20", "alogp": "1.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ethyl-2-(carbamoyloxy)benzoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccccc1OC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151709", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151709, "molecule_chembl_id": "CHEMBL3747259", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "718.62", "alogp": "3.33", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Salvianolic_acid B"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c2c1[C@@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151319", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151319, "molecule_chembl_id": "CHEMBL3039089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "430.55", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRANDOLAPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153357", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RG-547", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153357, "molecule_chembl_id": "CHEMBL384304", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.46", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "R547"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149224", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "(R)-VILOXAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149224, "molecule_chembl_id": "CHEMBL250052", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "237.30", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "viloxazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccccc1OC[C@H]1CNCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152693", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152693, "molecule_chembl_id": "CHEMBL2431867", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MN-64"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROMETHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152695, "molecule_chembl_id": "CHEMBL1200391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "121.14", "alogp": "-2.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TROMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CO)(CO)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152643", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152643, "molecule_chembl_id": "CHEMBL237111", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.73", "alogp": "6.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "AKBA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148275", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIROXIMONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148275, "molecule_chembl_id": "CHEMBL58355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "217.23", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piroximone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152780", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLRESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152780, "molecule_chembl_id": "CHEMBL436", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "357.35", "alogp": "3.56", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TOLRESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152315", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152315, "molecule_chembl_id": "CHEMBL69367", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AM580"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148677", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TOLPERISONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148677, "molecule_chembl_id": "CHEMBL1076211", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.37", "alogp": "3.30", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tolperisone hydrochloride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152323", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIOTHYRONINE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152323, "molecule_chembl_id": "CHEMBL1201119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "672.96", "alogp": "3.95", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "LIOTHYRONINE (L- isomer) SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148168", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIMOFIBRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148168, "molecule_chembl_id": "CHEMBL2106730", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Timofibrate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152147", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHLORETIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152147, "molecule_chembl_id": "CHEMBL45068", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "274.27", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phloretin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147644", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MECYSTEINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147644, "molecule_chembl_id": "CHEMBL1490495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.65", "alogp": "-0.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECYSTEINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C(N)CS.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153908", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153908, "molecule_chembl_id": "CHEMBL4303449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "552.44", "alogp": "5.27", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "ARQ 621"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152238", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELAPREVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152238, "molecule_chembl_id": "CHEMBL231813", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "679.86", "alogp": "2.45", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Telaprevir\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149409", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROCHLOROTHIAZIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149409, "molecule_chembl_id": "CHEMBL435", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "297.75", "alogp": "-0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "HYDROCHLOROTHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149032", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149032, "molecule_chembl_id": "CHEMBL568305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "439.56", "alogp": "5.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GPP-78"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154004", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154004, "molecule_chembl_id": "CHEMBL3940387", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.62", "alogp": "4.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2857785"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154166", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOLAMARGINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154166, "molecule_chembl_id": "CHEMBL443114", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "868.07", "alogp": "0.81", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "Solamargine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CN8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148175", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148175, "molecule_chembl_id": "CHEMBL426560", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "280.67", "alogp": "1.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FG-2216"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148930", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NIFENALOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148930, "molecule_chembl_id": "CHEMBL127349", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "224.26", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "nifenalol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150247", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PEFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150247, "molecule_chembl_id": "CHEMBL1428564", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "429.47", "alogp": "1.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PEFLOXACIN MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154662", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154662, "molecule_chembl_id": "CHEMBL1254577", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "446.53", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU-0364739"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.84", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2ccccc2c1", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149699", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEDISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149699, "molecule_chembl_id": "CHEMBL4297629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "481.92", "alogp": "3.81", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "M3814"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.58", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148467", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIFLUNISAL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148467, "molecule_chembl_id": "CHEMBL898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "250.20", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SAM002554896"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148091", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148091, "molecule_chembl_id": "CHEMBL260015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.54", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY2109761"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149080", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149080, "molecule_chembl_id": "CHEMBL3752151", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "383.43", "alogp": "2.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NI-57"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153963", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153963, "molecule_chembl_id": "CHEMBL1765602", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "432.41", "alogp": "5.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "torin-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.72", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148825", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BITOPERTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148825, "molecule_chembl_id": "CHEMBL1171829", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "543.46", "alogp": "3.94", "num_ro5_violations": 1, "max_phase": 3, "compound_key": "bitopertin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153967", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LIFIRAFENIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153967, "molecule_chembl_id": "CHEMBL4209157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "478.43", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "lifirafenib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4cc(C(F)(F)F)ccc4[nH]3)ccnc2N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152335", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAXOLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152335, "molecule_chembl_id": "CHEMBL423", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "307.43", "alogp": "2.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETAXOLOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152132, "molecule_chembl_id": "CHEMBL1628527", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "544.63", "alogp": "4.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GW-627368"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149445", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149445, "molecule_chembl_id": "CHEMBL4303391", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "171.16", "alogp": "-0.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Diazo-5-oxo-L-norleucine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#[N+]/C=C(\\[O-])CC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153748", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROMIDEPSIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153748, "molecule_chembl_id": "CHEMBL343448", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "540.71", "alogp": "1.43", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Romidepsin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152952", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAMOXIFEN CITRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152952, "molecule_chembl_id": "CHEMBL786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "563.65", "alogp": "6.00", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "TAMOXIFEN CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152996", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152996, "molecule_chembl_id": "CHEMBL1235001", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "3.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXYPHENBUTAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC[C@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148491", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIVANICLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148491, "molecule_chembl_id": "CHEMBL132966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "162.24", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Metanicotine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCC/C=C/c1cccnc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152621", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LEVCROMAKALIM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152621, "molecule_chembl_id": "CHEMBL100", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "286.33", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(-)-CROMAKALIM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153909", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153909, "molecule_chembl_id": "CHEMBL4303702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "680.51", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "Auranofin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148372", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148372, "molecule_chembl_id": "CHEMBL3891157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "108.02", "alogp": "0.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lithium acetoacetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC(=O)[O-].[Li+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149257", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAUNORUBICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149257, "molecule_chembl_id": "CHEMBL178", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.53", "alogp": "1.03", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "daunorubicin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153940", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BEMCENTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153940, "molecule_chembl_id": "CHEMBL3809489", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "506.66", "alogp": "4.88", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Bemcentinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147632", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOXICAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147632, "molecule_chembl_id": "CHEMBL53292", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "335.34", "alogp": "1.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ISOXICAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153735", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "O-DEMETHYLATED ADAPALENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153735, "molecule_chembl_id": "CHEMBL1180", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.50", "alogp": "6.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CD-437"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149406", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PHENIBUT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149406, "molecule_chembl_id": "CHEMBL315818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "179.22", "alogp": "1.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "fenigam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCC(CC(=O)O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955912", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FASUDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955912, "molecule_chembl_id": "CHEMBL38380", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "291.38", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Fasudil hydrochloride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1cccc2cnccc12)N1CCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956572", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956572, "molecule_chembl_id": "CHEMBL2171124", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "451.45", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2606414"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960609", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PREXASERTIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960609, "molecule_chembl_id": "CHEMBL3544911", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.40", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Prexasertib (dihydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959028", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MORINIDAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959028, "molecule_chembl_id": "CHEMBL3884248", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "270.29", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morinidazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ncc([N+](=O)[O-])n1CC(O)CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958644", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RO-201724", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958644, "molecule_chembl_id": "CHEMBL18701", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "278.35", "alogp": "2.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-20-1724"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOc1cc(CC2CNC(=O)N2)ccc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147134", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147134, "molecule_chembl_id": "CHEMBL1092473", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.87", "alogp": "1.46", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RANITIDINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN/C(=C\\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150757", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZUCAPSAICIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150757, "molecule_chembl_id": "CHEMBL313971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.42", "alogp": "3.79", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "CAPSAICIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(CNC(=O)CCCC/C=C\\C(C)C)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961096", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GF-109203", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961096, "molecule_chembl_id": "CHEMBL7463", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.49", "alogp": "3.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GF109203X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959837", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959837, "molecule_chembl_id": "CHEMBL2333365", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.51", "alogp": "3.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "XL388"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.104", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)ccc(S(C)(=O)=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959159", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALOFANTRINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959159, "molecule_chembl_id": "CHEMBL1107", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.43", "alogp": "8.64", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Halofantrine_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959314", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959314, "molecule_chembl_id": "CHEMBL1322608", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "434.50", "alogp": "2.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUNISOLIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]2(C(=O)CO)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958563", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958563, "molecule_chembl_id": "CHEMBL1255662", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "268.36", "alogp": "2.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N20C"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)CNCCC(c1ccccc1)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963168", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963168, "molecule_chembl_id": "CHEMBL9540", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.41", "alogp": "3.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-1138452"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.78", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955771", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "THIOTHIXENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955771, "molecule_chembl_id": "CHEMBL1201", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "443.64", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Thiothixene\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960278", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "QUINELORANE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960278, "molecule_chembl_id": "CHEMBL1486918", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.28", "alogp": "1.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY-163;502\u00e12HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147310", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147310, "molecule_chembl_id": "CHEMBL1496098", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.28", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Indirubin-3'-monoxime"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1Nc2ccccc2/C1=C1\\Nc2ccccc2\\C1=N/O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151243", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ADENOSINE PHOSPHATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151243, "molecule_chembl_id": "CHEMBL752", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "347.22", "alogp": "-1.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ADENOSINE PHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147379", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147379, "molecule_chembl_id": "CHEMBL370438", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Necrostatin 2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963835", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ESAPRAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963835, "molecule_chembl_id": "CHEMBL1983100", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "225.34", "alogp": "0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "esaprazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.889", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCNCC1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151342", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151342, "molecule_chembl_id": "CHEMBL4303724", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.25", "alogp": "-1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCC[N+]12CN3CN(CN(C3)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151252", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "N-OXALYLGLYCINE ", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151252, "molecule_chembl_id": "CHEMBL90852", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "147.09", "alogp": "-1.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-OXALYLGLYCINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CNC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152120", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOSANTEL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152120, "molecule_chembl_id": "CHEMBL12131", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "663.08", "alogp": "7.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CLOSANTEL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958535", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STICTIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958535, "molecule_chembl_id": "CHEMBL173530", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.31", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "STICTIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960178", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960178, "molecule_chembl_id": "CHEMBL307261", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "284.35", "alogp": "2.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARTENIMOL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.717", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959953", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METHIONINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959953, "molecule_chembl_id": "CHEMBL42336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.22", "alogp": "0.15", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "L-methionine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.675", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CSCC[C@H](N)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964395", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PICEATANNOL", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964395, "molecule_chembl_id": "CHEMBL69863", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.25", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "piceatannol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLINAFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959619, "molecule_chembl_id": "CHEMBL278255", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "365.79", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Clinafloxacin (PD127391)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964148", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BUTACAINE SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964148, "molecule_chembl_id": "CHEMBL3142544", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "710.98", "alogp": "3.72", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BUTACAINE SULFATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.92", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959835", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAVUCONAZOLE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959835, "molecule_chembl_id": "CHEMBL294029", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "437.48", "alogp": "4.24", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "ravuconazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.046", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964058", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACEDAPSONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964058, "molecule_chembl_id": "CHEMBL154166", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "332.38", "alogp": "2.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEDAPSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7682", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959838", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959838, "molecule_chembl_id": "CHEMBL1332518", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "211.17", "alogp": "1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMNB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.8005", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C=O)c([N+](=O)[O-])cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961072", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MAFENIDE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961072, "molecule_chembl_id": "CHEMBL1593568", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.70", "alogp": "-0.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MAFENIDE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.39", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZOGABINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146069, "molecule_chembl_id": "CHEMBL41355", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "303.34", "alogp": "3.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Retigabine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150859", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150859, "molecule_chembl_id": "CHEMBL600764", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "415.80", "alogp": "3.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML348"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963232", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963232, "molecule_chembl_id": "CHEMBL2139947", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.46", "alogp": "5.30", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Wnt-C59 (C59)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.3811", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963241", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IXAZOMIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963241, "molecule_chembl_id": "CHEMBL2141296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "Ixazomib (MLN2238)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.564", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150731", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150731, "molecule_chembl_id": "CHEMBL1331280", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.74", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SDZ-220-581"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150734", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150734, "molecule_chembl_id": "CHEMBL138297", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "189.31", "alogp": "-2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Colestid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCNCCNCCNCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150891", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150891, "molecule_chembl_id": "CHEMBL561708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "495.54", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WYE-354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149066", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "THIOURACIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149066, "molecule_chembl_id": "CHEMBL345768", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "128.16", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-THIOURACIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc[nH]c(=S)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149347", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPHA-KETOGLUTARIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149347, "molecule_chembl_id": "CHEMBL1686", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "146.10", "alogp": "-0.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-oxoglutaric-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCC(=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959891", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHYTOSPHINGOSINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959891, "molecule_chembl_id": "CHEMBL236036", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "317.51", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Phytosphingosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.311", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964327", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964327, "molecule_chembl_id": "CHEMBL313154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "243.31", "alogp": "4.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-Aminochrysene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1cc2c3ccccc3ccc2c2ccccc12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959090", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENZOCLIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959090, "molecule_chembl_id": "CHEMBL121932", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "231.29", "alogp": "1.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BENZOCLIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.867", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OC1CN2CCC1CC2)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959099", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959099, "molecule_chembl_id": "CHEMBL274789", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.37", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "iododexetimide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(I)cc3)CC2)C(=O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964511, "molecule_chembl_id": "CHEMBL1608472", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "302.36", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-308264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(N2C(=O)CC(Sc3nc[nH]n3)C2=O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964514", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964514, "molecule_chembl_id": "CHEMBL168067", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "324.44", "alogp": "3.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-DAMP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959908", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "L-745870", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959908, "molecule_chembl_id": "CHEMBL267014", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.83", "alogp": "3.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-745870"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964353", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964353, "molecule_chembl_id": "CHEMBL1161936", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxypyridine-disulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INTEPIRDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149622, "molecule_chembl_id": "CHEMBL1083390", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.45", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "SB-742457"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OCAPERIDONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146842, "molecule_chembl_id": "CHEMBL2104619", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "420.49", "alogp": "4.01", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ocaperidone\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(C)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc23)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958237", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958237, "molecule_chembl_id": "CHEMBL1522077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.32", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-304258"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963941", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PINOCEMBRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963941, "molecule_chembl_id": "CHEMBL399910", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pinocembrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.937", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959343", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROGESTERONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959343, "molecule_chembl_id": "CHEMBL103", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.47", "alogp": "4.72", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PROGESTERONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147018", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TELITHROMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147018, "molecule_chembl_id": "CHEMBL1136", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "812.02", "alogp": "4.93", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "TELITHROMYCIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147597", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLAMINE TRIETHIODIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147597, "molecule_chembl_id": "CHEMBL1200993", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "891.54", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GALLAMINE TRIETHIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962833", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZD-8055", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962833, "molecule_chembl_id": "CHEMBL1801204", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8055"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "107.55", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147615", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147615, "molecule_chembl_id": "CHEMBL1397913", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.89", "alogp": "4.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SC-10"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964446", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964446, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Myricetin (Cannabiscetin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958523", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958523, "molecule_chembl_id": "CHEMBL259067", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "452.46", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SID 7969543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154331", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "6.48", "bao_label": "organism-based format", "molecule_pref_name": "TRIMETREXATE", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154331, "molecule_chembl_id": "CHEMBL119", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.43", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRIMETREXATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "330.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146793", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VARDENAFIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146793, "molecule_chembl_id": "CHEMBL1339", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "525.08", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "VARDENAFIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147106", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PINOCEMBRIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147106, "molecule_chembl_id": "CHEMBL399910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "256.26", "alogp": "2.80", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Pinocembrin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955681", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955681, "molecule_chembl_id": "CHEMBL4303336", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "505.95", "alogp": "5.25", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Tropesin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.99", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1)c(CC(=O)OCC(C(=O)O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151752", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151752, "molecule_chembl_id": "CHEMBL47529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "277.33", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SCH-28080"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2c(OCc3ccccc3)cccn2c1CC#N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960885", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960885, "molecule_chembl_id": "CHEMBL3311308", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.40", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK-37647"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154157", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154157, "molecule_chembl_id": "CHEMBL3084652", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "385.50", "alogp": "5.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "JHW-007"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149529", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BISPHENOL A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149529, "molecule_chembl_id": "CHEMBL418971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "3.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BISPHENOL A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149546", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149546, "molecule_chembl_id": "CHEMBL40833", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "108.14", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-amino-4-methylpyridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc(N)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154059", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GAMBOGIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154059, "molecule_chembl_id": "CHEMBL555017", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "628.76", "alogp": "7.24", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Gambogic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147076", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENFLURANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147076, "molecule_chembl_id": "CHEMBL1257", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "184.49", "alogp": "2.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "enflurane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FC(F)OC(F)(F)C(F)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152619", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152619, "molecule_chembl_id": "CHEMBL1364808", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.42", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PIT tosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(S(=O)(=O)O)cc1.O=C1C(c2ccccn2)=[N+]([O-])c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150022", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOSCAPINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150022, "molecule_chembl_id": "CHEMBL2106732", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.89", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOSCAPINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147456", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147456, "molecule_chembl_id": "CHEMBL594828", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.84", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Cligosiban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150058", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150058, "molecule_chembl_id": "CHEMBL1616372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.73", "alogp": "1.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACDPP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964246", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.45", "bao_label": "assay format", "molecule_pref_name": "CARBIDOPA", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964246, "molecule_chembl_id": "CHEMBL1201236", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.23", "alogp": "-0.05", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CARBIDOPA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3550.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146744", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146744, "molecule_chembl_id": "CHEMBL4303656", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "258.36", "alogp": "1.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Leu-Leu-OMe_HCL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146948", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CINNARIZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146948, "molecule_chembl_id": "CHEMBL43064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "368.52", "alogp": "5.11", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CINNARAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959990", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959990, "molecule_chembl_id": "CHEMBL1410669", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.47", "alogp": "4.46", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TERCONAZOLE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153251", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153251, "molecule_chembl_id": "CHEMBL3039230", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "1422.72", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BACITRACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NCCCCC2NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153317", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153317, "molecule_chembl_id": "CHEMBL4557267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SGC2085"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](C)N)cc2C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153144", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153144, "molecule_chembl_id": "CHEMBL104028", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "345.32", "alogp": "4.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A425619"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148640", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "METYROSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148640, "molecule_chembl_id": "CHEMBL1200862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "195.22", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "METYROSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964471", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964471, "molecule_chembl_id": "CHEMBL154580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JAK3-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "O-CHLOROACETYLCARBAMOYLFUMAGILLOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149250, "molecule_chembl_id": "CHEMBL424278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "401.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "TNP-470"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153341", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RALTITREXED", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153341, "molecule_chembl_id": "CHEMBL225071", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "458.50", "alogp": "1.98", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RALTITREXED"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964483", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Chymotrypsin Inhibition Percentage At 10 \u039cm", "target_pref_name": "Chymotrypsin", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4495586", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523987", "activity_id": 19964483, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "PROTEIN FAMILY"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Homo sapiens", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Homo sapiens", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Chymotrypsin inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963650", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FINGOLIMOD HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963650, "molecule_chembl_id": "CHEMBL544665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "343.94", "alogp": "3.20", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Fingolimod (FTY720) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.389", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960543", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PACRITINIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960543, "molecule_chembl_id": "CHEMBL2035187", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "472.59", "alogp": "4.96", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pacritinib (SB1518)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.641", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150760", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150760, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nevirapine\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146278", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BALICATIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146278, "molecule_chembl_id": "CHEMBL371064", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "411.55", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Balicatib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963930", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIBAVIRIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963930, "molecule_chembl_id": "CHEMBL1643", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.21", "alogp": "-3.01", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIBAVIRIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955499, "molecule_chembl_id": "CHEMBL1230488", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "158.16", "alogp": "-1.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Hydroxyectoin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=N[C@H](C(=O)O)[C@@H](O)CN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CROMOLYN SODIUM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960628, "molecule_chembl_id": "CHEMBL74", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.33", "alogp": "2.11", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CROMOLYN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "28.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151012", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151012, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147981", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147981, "molecule_chembl_id": "CHEMBL4303644", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.45", "alogp": "3.63", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-Oxo-dehydroepiandrosterone acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148062", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148062, "molecule_chembl_id": "CHEMBL4303418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "222.37", "alogp": "3.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cedrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCC2C(C)(C)C3CC12CCC3(C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146954", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146954, "molecule_chembl_id": "CHEMBL186422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "145.16", "alogp": "1.53", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "2-OXOQUINOLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccc2ccccc2[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148483", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148483, "molecule_chembl_id": "CHEMBL68406", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "685.70", "alogp": "-8.88", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "viomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H](C2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152607", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152607, "molecule_chembl_id": "CHEMBL4303267", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "317.36", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VLX-600"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=NNc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960003", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PALOSURAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960003, "molecule_chembl_id": "CHEMBL567303", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.54", "alogp": "3.73", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Palosuran"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963875", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TOZADENANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963875, "molecule_chembl_id": "CHEMBL2105747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "406.51", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Tozadenant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.84", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149953", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAMOIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149953, "molecule_chembl_id": "CHEMBL177880", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "388.38", "alogp": "4.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrantel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151741", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NITROFEN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151741, "molecule_chembl_id": "CHEMBL561004", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.10", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NITROFEN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152769", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152769, "molecule_chembl_id": "CHEMBL1237018", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "461.88", "alogp": "2.14", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MK-2048"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NC)c32)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959790", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959790, "molecule_chembl_id": "CHEMBL320642", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "224.28", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "S 18986"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.87", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S1(=O)N[C@H]2CCCN2c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152280", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "Y-27632", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152280, "molecule_chembl_id": "CHEMBL559147", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "247.34", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Y-27632"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959870", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959870, "molecule_chembl_id": "CHEMBL3352956", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "105.10", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "4-pyrimidinecarbonitrile"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccncn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147773", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147773, "molecule_chembl_id": "CHEMBL8565", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.36", "alogp": "0.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSB-1115"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963686", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAPRENEPAG", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963686, "molecule_chembl_id": "CHEMBL2107783", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "478.53", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Taprenepag"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959578", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959578, "molecule_chembl_id": "CHEMBL4104747", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "347.44", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CaCCinh-A01"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.819", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)C1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963865", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963865, "molecule_chembl_id": "CHEMBL3273984", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.51", "alogp": "4.41", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "hydroxyprogesterone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.686", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959898", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANAGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959898, "molecule_chembl_id": "CHEMBL1929396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "383.46", "alogp": "0.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Anagliptin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964351", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": "Ic50 Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Merbromin", "assay_chembl_id": "CHEMBL4495584", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964351, "molecule_chembl_id": "CHEMBL2097077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "706.69", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "image_file": "metalContaining.svg", "compound_key": "MERBROMIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "MERS_3CL Pro protease inhibition IC50  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964201", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "7.10", "bao_label": "assay format", "molecule_pref_name": "TIDEGLUSIB", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964201, "molecule_chembl_id": "CHEMBL3545157", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "334.40", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Tideglusib\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "80.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959712", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959712, "molecule_chembl_id": "CHEMBL1921985", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "307.35", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TAK-700 (Orteronel)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.309", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151468", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TORIN1", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151468, "molecule_chembl_id": "CHEMBL1256459", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "607.64", "alogp": "6.83", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Torin 1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154315", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.51", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154315, "molecule_chembl_id": "CHEMBL1403575", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.50", "alogp": "3.18", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SMR000040087"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31180.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152292", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW786460X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152292, "molecule_chembl_id": "CHEMBL185238", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "287.33", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RepSox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151287", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151287, "molecule_chembl_id": "CHEMBL1917204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.36", "alogp": "2.56", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CCG 50014"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151288", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151288, "molecule_chembl_id": "CHEMBL222418", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.16", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CNQX disodium salt"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152468", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152468, "molecule_chembl_id": "CHEMBL1703740", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.72", "alogp": "3.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML115 Analog"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)on1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146820", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSPAGLUMIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146820, "molecule_chembl_id": "CHEMBL1329032", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.26", "alogp": "-1.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "spaglumic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147689", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZONISAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147689, "molecule_chembl_id": "CHEMBL750", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "212.23", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "zonisamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=S(=O)(O)Cc1noc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152196", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152196, "molecule_chembl_id": "CHEMBL562551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "262.70", "alogp": "3.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0361737"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(NC(=O)c2ccccn2)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958265", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958265, "molecule_chembl_id": "CHEMBL1609104", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "282.30", "alogp": "3.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML354"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.51", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147021", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPSONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147021, "molecule_chembl_id": "CHEMBL1043", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.31", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DAPSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959465", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959465, "molecule_chembl_id": "CHEMBL1213887", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.36", "alogp": "1.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "monastrol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "66.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(O)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146747", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SITAGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146747, "molecule_chembl_id": "CHEMBL1422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "407.32", "alogp": "2.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SITAGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959143", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FENOLDOPAM MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959143, "molecule_chembl_id": "CHEMBL1026", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.87", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "FENOLDOPAM MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "83.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959150", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959150, "molecule_chembl_id": "CHEMBL1886787", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "563.67", "alogp": "6.12", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Fosinopril sodium (Monopril)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.231", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151457", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151457, "molecule_chembl_id": "CHEMBL318457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "542.85", "alogp": "8.87", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GW-4064"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959998", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959998, "molecule_chembl_id": "CHEMBL140", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "368.39", "alogp": "3.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Curcumin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.837", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958661", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958661, "molecule_chembl_id": "CHEMBL430483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "324.46", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Etonogestrel"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3C(=C)CC21CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959337", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALBENDAZOLE OXIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959337, "molecule_chembl_id": "CHEMBL1665", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "281.34", "alogp": "2.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Albendazole Oxide (Ricobendazole)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.179", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[S+]([O-])c1ccc2[nH]c(NC(=O)OC)nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958407", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958407, "molecule_chembl_id": "CHEMBL4532415", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "561.73", "alogp": "5.64", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TANDUTINIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ccnc2cc1OCCCN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963540", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RAMOSETRON HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963540, "molecule_chembl_id": "CHEMBL3181841", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.80", "alogp": "2.89", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Ramosetron (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963437", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BATIMASTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963437, "molecule_chembl_id": "CHEMBL279786", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.65", "alogp": "3.10", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Batimastat (BB-94)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-4.233", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145939", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145939, "molecule_chembl_id": "CHEMBL4303467", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.45", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML-179"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1C1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958943", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958943, "molecule_chembl_id": "CHEMBL4303712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "504.44", "alogp": "-7.57", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "4-galactosyllactose"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.285", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963479", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963479, "molecule_chembl_id": "CHEMBL2338352", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "488.66", "alogp": "4.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-47965567"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)c1cccnc1Sc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958670", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APR-246", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958670, "molecule_chembl_id": "CHEMBL3186011", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "199.25", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "APR-246"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCC1(CO)C(=O)C2CCN1CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963274", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BENPERIDOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963274, "molecule_chembl_id": "CHEMBL297302", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.45", "alogp": "4.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "benperidol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963504", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "UFENAMATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963504, "molecule_chembl_id": "CHEMBL2105605", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.34", "alogp": "5.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ufenamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.9", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958911", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ANISODAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958911, "molecule_chembl_id": "CHEMBL2165224", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.37", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ANISODAMINE HYDROBROMIDE (+/-)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958775", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958775, "molecule_chembl_id": "CHEMBL12152", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "386.49", "alogp": "2.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MDL-72832"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.651", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963381", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VTP-27999", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963381, "molecule_chembl_id": "CHEMBL1276678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "525.09", "alogp": "3.58", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "VTP-27999 (Hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150590", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MORIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150590, "molecule_chembl_id": "CHEMBL28626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "302.24", "alogp": "1.99", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Morin hydrate (Aurantica)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146092", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146092, "molecule_chembl_id": "CHEMBL3605456", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "437.54", "alogp": "3.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CPI-360"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146203, "molecule_chembl_id": "CHEMBL261641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "568.10", "alogp": "3.99", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SU11274"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963438", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "Ro-154513", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963438, "molecule_chembl_id": "CHEMBL6597", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "326.32", "alogp": "2.58", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ro-15-4513"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.5339", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963618", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NOREPINEPHRINE BITARTRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963618, "molecule_chembl_id": "CHEMBL1356607", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.27", "alogp": "0.09", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NOREPINEPHRINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962780", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962780, "molecule_chembl_id": "CHEMBL4289017", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.49", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-03814735"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.61", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962781", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962781, "molecule_chembl_id": "CHEMBL259551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "327.35", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR-180204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "34.6", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958481", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958481, "molecule_chembl_id": "CHEMBL112710", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "137.12", "alogp": "0.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKF 97541"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.65", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CP(=O)(O)CCCN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145517", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GLABRIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145517, "molecule_chembl_id": "CHEMBL480477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "324.38", "alogp": "4.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GLABRIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "40.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958183", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958183, "molecule_chembl_id": "CHEMBL1231797", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "344.20", "alogp": "3.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-Cyclohexyl-N'-(4-Iodophenyl)Urea"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(I)cc1)NC1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146989", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146989, "molecule_chembl_id": "CHEMBL2361649", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.76", "alogp": "2.86", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Atipamezole (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC1(c2cnc[nH]2)Cc2ccccc2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960637", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960637, "molecule_chembl_id": "CHEMBL448502", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "204.36", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "beta-elemene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955867", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EPALRESTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955867, "molecule_chembl_id": "CHEMBL56337", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "319.41", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Epalrestat\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955871", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LICOFELONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955871, "molecule_chembl_id": "CHEMBL300982", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "379.89", "alogp": "5.68", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Licofelone\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-43.46", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960184", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEPRENONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960184, "molecule_chembl_id": "CHEMBL79686", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.56", "alogp": "7.50", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Teprenone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.276", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153267", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "APITOLISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153267, "molecule_chembl_id": "CHEMBL1922094", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "498.61", "alogp": "0.90", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Apitolisib (GDC-0980; RG7422)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963982", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963982, "molecule_chembl_id": "CHEMBL1256746", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "290.45", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CGP-13501"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959218", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LIAROZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959218, "molecule_chembl_id": "CHEMBL2105015", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.23", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "liarozole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Clc1cccc(C(c2ccc3[nH]cnc3c2)n2ccnc2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964036", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DEFERASIROX", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964036, "molecule_chembl_id": "CHEMBL550348", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.37", "alogp": "3.71", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Deferasirox (Exjade)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.104", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145948", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145948, "molecule_chembl_id": "CHEMBL4580236", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.34", "alogp": "2.95", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CID54359408"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCC=C(NOCCN)c1ccc(C(F)(F)F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960275", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "HALOPROGIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960275, "molecule_chembl_id": "CHEMBL1289", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "361.39", "alogp": "4.42", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "haloprogin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cc(Cl)c(OCC#CI)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964313", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.12", "bao_label": "assay format", "molecule_pref_name": "SULFADIAZINE, SILVER", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964313, "molecule_chembl_id": "CHEMBL1382627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "357.14", "alogp": "0.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "silver-sulfadiazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "750.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960814", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICLOCARBAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960814, "molecule_chembl_id": "CHEMBL1076347", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "315.59", "alogp": "5.29", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Triclocarban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.425", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147069, "molecule_chembl_id": "CHEMBL362223", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "373.86", "alogp": "5.44", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "L-655240"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959772", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-38877605", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959772, "molecule_chembl_id": "CHEMBL2133806", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "377.36", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "JNJ-38877605"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.789", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151777", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARMOFUR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151777, "molecule_chembl_id": "CHEMBL460499", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "257.26", "alogp": "0.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Carmofur\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959002", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GLAFENINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959002, "molecule_chembl_id": "CHEMBL146095", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "372.81", "alogp": "3.14", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GLAFENINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.748", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963790", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963790, "molecule_chembl_id": "CHEMBL3137745", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "428.79", "alogp": "5.18", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMODIAQUINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961197", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "FLIBANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961197, "molecule_chembl_id": "CHEMBL231068", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.41", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Flibanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.86", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961310", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961310, "molecule_chembl_id": "CHEMBL165084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "309.27", "alogp": "-3.87", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-Acetylneuraminic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.612", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961208", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "STOBADINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961208, "molecule_chembl_id": "CHEMBL479176", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "202.30", "alogp": "2.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "stobadine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.95", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959593", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959593, "molecule_chembl_id": "CHEMBL3348832", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "174.15", "alogp": "-1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Shikimic_acid (Shikimate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.816", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C1=CC(O)C(O)[C@H](O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956031", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956031, "molecule_chembl_id": "CHEMBL442137", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "221.30", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Dizocilpine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "21.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12NC(Cc3ccccc31)c1ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961491", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961491, "molecule_chembl_id": "CHEMBL331465", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "400.48", "alogp": "3.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DMH4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955554", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEVIRAPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955554, "molecule_chembl_id": "CHEMBL57", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.30", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Nevirapine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147313", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOSILYBIN A", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147313, "molecule_chembl_id": "CHEMBL592676", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "482.44", "alogp": "2.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Silymarin (Silybin B)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@@H]2CO)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147314", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147314, "molecule_chembl_id": "CHEMBL1161936", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "308.34", "alogp": "2.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carboxypyridine-disulfide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150897", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CP-339818", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150897, "molecule_chembl_id": "CHEMBL281622", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "304.44", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CP-339818"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.41", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC/N=c1\\ccn(Cc2ccccc2)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146344", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146344, "molecule_chembl_id": "CHEMBL211769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "235.24", "alogp": "1.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ISO-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151972", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "MEDORINONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151972, "molecule_chembl_id": "CHEMBL144399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "160.18", "alogp": "1.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "medorinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.29", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nccc2nc(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147467", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HYDROXYFLUTAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147467, "molecule_chembl_id": "CHEMBL491", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "2-hydroxyflutamide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151974", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151974, "molecule_chembl_id": "CHEMBL116655", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "125.17", "alogp": "0.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD048934"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)Cc1cnc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146363", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NOMEGESTROL ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146363, "molecule_chembl_id": "CHEMBL1476022", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "370.49", "alogp": "4.19", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "nomegestrol-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959207", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959207, "molecule_chembl_id": "CHEMBL2093109", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "381.86", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "trimethoquinol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "71.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959208", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959208, "molecule_chembl_id": "CHEMBL1743359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.30", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ZILEUTON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](c1cc2ccccc2s1)N(O)C(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959367", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AZELASTINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959367, "molecule_chembl_id": "CHEMBL1200809", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "418.37", "alogp": "4.30", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AZELASTINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963974", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963974, "molecule_chembl_id": "CHEMBL154580", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "182.22", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JAK3-inhibitor-V"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "94.8", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)c1ccc2ccccc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961251", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961251, "molecule_chembl_id": "CHEMBL34730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "266.73", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "6-chloromelatonin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.813", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152245", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-1480", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152245, "molecule_chembl_id": "CHEMBL1231124", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.77", "alogp": "3.01", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AZD-1480"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147655", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GYKI-52466", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147655, "molecule_chembl_id": "CHEMBL275006", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "293.33", "alogp": "2.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GYKI-52466"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960192", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "JNJ-7706621", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960192, "molecule_chembl_id": "CHEMBL191003", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "394.36", "alogp": "1.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-7706621"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-6.261", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964174", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CALCIUM GLUCEPTATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964174, "molecule_chembl_id": "CHEMBL1237066", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "490.42", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "compound_key": "CALCIUM GLUCEPTATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.545", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19962808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AFLOQUALONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19962808, "molecule_chembl_id": "CHEMBL2105918", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "283.31", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Afloqualone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963436", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963436, "molecule_chembl_id": "CHEMBL3264002", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "471.47", "alogp": "2.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RO5126766 (CH5126766)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-13.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963175", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963175, "molecule_chembl_id": "CHEMBL77538", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.35", "alogp": "0.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-DPP728"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.878", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150791", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "INDOXYL SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150791, "molecule_chembl_id": "CHEMBL1233636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "213.21", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Indoxyl Sulfate (potassium salt)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(O)Oc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145994", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145994, "molecule_chembl_id": "CHEMBL90290", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.25", "alogp": "0.61", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MNITMT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150929", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150929, "molecule_chembl_id": "CHEMBL4580937", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "194.14", "alogp": "-3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "M-2000"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146250", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146250, "molecule_chembl_id": "CHEMBL4212818", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "353.83", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DS2-(806622)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958600", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CILNIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958600, "molecule_chembl_id": "CHEMBL452076", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "492.53", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "cilnidipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958897", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICHLORMETHIAZIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958897, "molecule_chembl_id": "CHEMBL1054", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.66", "alogp": "0.82", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLORMETHIAZIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960340", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960340, "molecule_chembl_id": "CHEMBL4303420", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "210.07", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "BC-11"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)SCc1ccc(B(O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958915", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SISOMICIN SULFATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958915, "molecule_chembl_id": "CHEMBL3989471", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1385.46", "alogp": "-3.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Sisomicin (sulfate)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.876", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958916", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958916, "molecule_chembl_id": "CHEMBL4303561", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "163.22", "alogp": "0.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT-202"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1CCN(c2cccnc2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955587", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "POLAPREZINC", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955587, "molecule_chembl_id": "CHEMBL242948", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "226.24", "alogp": "-1.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Carnosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963378", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963378, "molecule_chembl_id": "CHEMBL4303725", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "149.16", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Methyladenine (3-MA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.5751", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(=N)c2nc[nH]c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958955", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958955, "molecule_chembl_id": "CHEMBL2359044", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "345.94", "alogp": "5.02", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "metixene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.612", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146409", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146409, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rosmarinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958835", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OXYTETRACYCLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958835, "molecule_chembl_id": "CHEMBL1517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.44", "alogp": "-1.24", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "OXYTETRACYCLINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-19.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151111", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAPAVERINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151111, "molecule_chembl_id": "CHEMBL98123", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.85", "alogp": "3.86", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAPAVERINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150764", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150764, "molecule_chembl_id": "CHEMBL1087641", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "418.58", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Genz-123346 (free base)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146264", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146264, "molecule_chembl_id": "CHEMBL103469", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "233.27", "alogp": "2.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-BCP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(c1ccc2c(c1)OCO2)N1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146225", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AFN-1252", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146225, "molecule_chembl_id": "CHEMBL1652621", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "375.43", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AFN-1252"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963480", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVODROPROPIZINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963480, "molecule_chembl_id": "CHEMBL1288810", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "236.31", "alogp": "0.16", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Levodropropizine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.9961", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OC[C@@H](O)CN1CCN(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958962", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SULOCTIDIL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958962, "molecule_chembl_id": "CHEMBL404849", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "337.57", "alogp": "5.56", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "SULOCTIDIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.82", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145603", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "JNJ-5207852", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145603, "molecule_chembl_id": "CHEMBL129542", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "316.49", "alogp": "3.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-5207852"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "EDETIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963428, "molecule_chembl_id": "CHEMBL858", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.24", "alogp": "-2.07", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "ETHYLENEDIAMINE TETRACETIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.523", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964298", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "5.42", "bao_label": "assay format", "molecule_pref_name": "CISPLATIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964298, "molecule_chembl_id": "CHEMBL2068237", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.03", "alogp": null, "num_ro5_violations": null, "max_phase": 4, "image_file": "metalContaining.svg", "compound_key": "CISPLATIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3820.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": null, "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958680", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VERAPAMIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958680, "molecule_chembl_id": "CHEMBL1280", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "491.07", "alogp": "5.09", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "VERAPAMIL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.085", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958682", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOPHOSPHAMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958682, "molecule_chembl_id": "CHEMBL88", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLOPHOSPHAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "24.47", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(N(CCCl)CCCl)NCCCO1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145638", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EZETIMIBE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145638, "molecule_chembl_id": "CHEMBL1138", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.43", "alogp": "4.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ezetimibe"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150398", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DARIFENACIN HYDROBROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150398, "molecule_chembl_id": "CHEMBL1200935", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "507.47", "alogp": "3.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DARIFENACIN HYDROBROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958471", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TRICHLOROETHYLENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958471, "molecule_chembl_id": "CHEMBL279816", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "131.39", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLOROETHYLENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "20.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "ClC=C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CYCLOPIAZONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958695, "molecule_chembl_id": "CHEMBL480627", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.39", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cyclopiazonic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2776", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958602", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LEVLOFEXIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958602, "molecule_chembl_id": "CHEMBL2107417", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "259.14", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LOFEXIDINE  HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963304", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM GUALENATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963304, "molecule_chembl_id": "CHEMBL1837010", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.36", "alogp": "3.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Sodium gualenate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.467", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958804", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MIANSERIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958804, "molecule_chembl_id": "CHEMBL544428", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "300.83", "alogp": "3.08", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MIANSERIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-3.887", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963409", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SODIUM OXYBATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963409, "molecule_chembl_id": "CHEMBL1200682", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "126.09", "alogp": "-0.16", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SODIUM OXYBATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.83", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C([O-])CCCO.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958807", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ATOVAQUONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958807, "molecule_chembl_id": "CHEMBL1450", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "366.84", "alogp": "5.51", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "ATOVAQUONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.325", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963414", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963414, "molecule_chembl_id": "CHEMBL445001", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "179.26", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-METHYL (-)EPHEDRINE [1R;2S]"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]([C@H](O)c1ccccc1)N(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963415", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "DICUMAROL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963415, "molecule_chembl_id": "CHEMBL1466", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "336.30", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DICUMAROL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958552", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APRACLONIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958552, "molecule_chembl_id": "CHEMBL647", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "245.11", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "APRACLONIDINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.57", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959573", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959573, "molecule_chembl_id": "CHEMBL2392189", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "198.22", "alogp": "0.43", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GUAIFENESIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OC[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146795", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146795, "molecule_chembl_id": "CHEMBL191422", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.30", "alogp": "-1.42", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "L-Tyrosylglycylglycine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964191", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964191, "molecule_chembl_id": "CHEMBL4303262", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "775.82", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "nemonapride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.356", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl.CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151482", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151482, "molecule_chembl_id": "CHEMBL4303549", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "476.47", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Tenofovir Alafenamide (GS-7340)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)C(C)NP(=O)(COC(C)Cn1cnc2c(N)ncnc21)Oc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960530", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960530, "molecule_chembl_id": "CHEMBL543763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "305.85", "alogp": "3.66", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bifemelane"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNCCCCOc1ccccc1Cc1ccccc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960257", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960257, "molecule_chembl_id": "CHEMBL1358525", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.79", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "YM-976"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.058", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960259", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALDECOXIB", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960259, "molecule_chembl_id": "CHEMBL865", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "314.37", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Valdecoxib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.971", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146050", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146050, "molecule_chembl_id": "CHEMBL1333097", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "295.85", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SAM001246972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146496", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "S-ROLIPRAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146496, "molecule_chembl_id": "CHEMBL325795", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "275.35", "alogp": "2.62", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ROLIPRAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960553", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GOSSYPOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960553, "molecule_chembl_id": "CHEMBL51483", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "518.56", "alogp": "6.38", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "gossypol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.739", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151004", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151004, "molecule_chembl_id": "CHEMBL4593278", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "657.74", "alogp": "4.50", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-543"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151077", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151077, "molecule_chembl_id": "CHEMBL325226", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "351.45", "alogp": "4.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NPY-5RA972"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960622", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960622, "molecule_chembl_id": "CHEMBL1076555", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "302.79", "alogp": "4.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SKI-II"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIPTOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153569, "molecule_chembl_id": "CHEMBL463763", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.41", "alogp": "1.10", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Triptolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148259", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DAPIPRAZOLE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148259, "molecule_chembl_id": "CHEMBL1201044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "361.92", "alogp": "2.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Dapiprazole Hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152053", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152053, "molecule_chembl_id": "CHEMBL526307", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "400.22", "alogp": "3.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AF-353"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152260", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VALROCEMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152260, "molecule_chembl_id": "CHEMBL471638", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Valrocemide\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959597", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959597, "molecule_chembl_id": "CHEMBL4303197", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "313.40", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "sari-59-801"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1noc(C)c1-c1[nH]c2ccccc2c1C(O)CN(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152266", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "R-306465", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152266, "molecule_chembl_id": "CHEMBL609583", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.46", "alogp": "1.26", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "R306465"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148890", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IFOSFAMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148890, "molecule_chembl_id": "CHEMBL1024", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "261.09", "alogp": "1.88", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "IFOSFAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P1(NCCCl)OCCCN1CCCl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147892", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147892, "molecule_chembl_id": "CHEMBL1563246", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "330.47", "alogp": "3.69", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "stetaderm"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958620", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHLORPHENAMINE MALEATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958620, "molecule_chembl_id": "CHEMBL180454", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.87", "alogp": "3.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Chlorpheniramine Maleate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.683", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C/C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963224", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MEPIROXOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963224, "molecule_chembl_id": "CHEMBL1985503", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "125.13", "alogp": "-0.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "mepiroxol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "[O-][n+]1cccc(CO)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960230", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "GRISEOFULVIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960230, "molecule_chembl_id": "CHEMBL562", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "352.77", "alogp": "2.81", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GRISEOFULVIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.326", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956508", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956508, "molecule_chembl_id": "CHEMBL361501", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "474.97", "alogp": "6.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ki16425"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146017", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146017, "molecule_chembl_id": "CHEMBL4090631", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.35", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MEPIVACAINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151768", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GW842166X", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151768, "molecule_chembl_id": "CHEMBL225411", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "449.26", "alogp": "4.70", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "GW-842166X"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151261", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ERTEBEREL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151261, "molecule_chembl_id": "CHEMBL278703", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "282.34", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Erteberel\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146765", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FEXARAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146765, "molecule_chembl_id": "CHEMBL192966", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "496.65", "alogp": "6.72", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "FEXARAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961472", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961472, "molecule_chembl_id": "CHEMBL1179743", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "654.74", "alogp": "6.60", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "L-161982"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.192", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2sccc2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151370", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SOTALOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151370, "molecule_chembl_id": "CHEMBL471", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "272.37", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SOTALOL HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151125", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OSELTAMIVIR", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151125, "molecule_chembl_id": "CHEMBL1229", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "312.41", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oseltamivir phosphate\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960718", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROXARSONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960718, "molecule_chembl_id": "CHEMBL1321154", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "263.04", "alogp": null, "num_ro5_violations": null, "max_phase": 0, "compound_key": "ROXARSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960720", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960720, "molecule_chembl_id": "CHEMBL351231", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "330.43", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ABT 239 tartrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960822", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINFLUMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960822, "molecule_chembl_id": "CHEMBL132663", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "205.23", "alogp": "2.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cinflumide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.454", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1cccc(F)c1)NC1CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960074", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NEPICASTAT HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960074, "molecule_chembl_id": "CHEMBL536282", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "331.82", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Nepicastat (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "95.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.NCc1cnc(S)n1[C@H]1CCc2c(F)cc(F)cc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955779", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955779, "molecule_chembl_id": "CHEMBL4303175", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "142.16", "alogp": "-0.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ectoine-zwitterion"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1NCC[C@@H](C(=O)O)N1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960840", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960840, "molecule_chembl_id": "CHEMBL4303425", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "285.39", "alogp": "4.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PSN-375963"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.829", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC1CCC(c2nc(-c3ccncc3)no2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152732", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152732, "molecule_chembl_id": "CHEMBL488823", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "423.44", "alogp": "4.81", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CY-09"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(/C=C2\\SC(=S)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152165", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152165, "molecule_chembl_id": "CHEMBL490153", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.90", "alogp": "4.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-867744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151033", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROXETINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151033, "molecule_chembl_id": "CHEMBL1708", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.83", "alogp": "3.33", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PAROXETINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146603", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146603, "molecule_chembl_id": "CHEMBL4303714", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "466.47", "alogp": "5.81", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "GS-143"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C\\c3ccc(-c4ccccc4F)o3)C2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961631", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "OPIPRAMOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961631, "molecule_chembl_id": "CHEMBL1524185", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "436.43", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "opipramol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147613", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147613, "molecule_chembl_id": "CHEMBL164770", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "294.31", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PHCCC"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccccc1)C12CC1/C(=N\\O)c1ccccc1O2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146675", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146675, "molecule_chembl_id": "CHEMBL4529495", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.28", "alogp": "-1.40", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "N-(4-carboxyphenyl)-alpha-D-mannopyranosylamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VINDESINE SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148069, "molecule_chembl_id": "CHEMBL2105882", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "852.02", "alogp": "2.73", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Vindesine Sulfate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.76", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955949", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VALROCEMIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955949, "molecule_chembl_id": "CHEMBL471638", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "200.28", "alogp": "0.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Valrocemide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCC(CCC)C(=O)NCC(N)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955781", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955781, "molecule_chembl_id": "CHEMBL100259", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "244.20", "alogp": "-2.85", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Uridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "31.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955892", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TIMOFIBRATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955892, "molecule_chembl_id": "CHEMBL2106730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "329.81", "alogp": "2.48", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Timofibrate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960808", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960808, "molecule_chembl_id": "CHEMBL466517", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "242.32", "alogp": "1.19", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JNJ-26990990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.85", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NS(=O)(=O)NCc1csc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955825", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "IVACAFTOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955825, "molecule_chembl_id": "CHEMBL2010601", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "392.50", "alogp": "5.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Ivacaftor\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.93", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960604", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ROSMARINIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960604, "molecule_chembl_id": "CHEMBL324842", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "360.32", "alogp": "1.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "rosmarinic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "97.17", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955996", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PHYTONADIONE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955996, "molecule_chembl_id": "CHEMBL1550", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "450.71", "alogp": "9.16", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Phylloquinone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C/C=C(\\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AT-7519", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955628, "molecule_chembl_id": "CHEMBL445813", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "382.25", "alogp": "2.45", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "AT7519"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961011", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ISOFLUPREDONE ACETATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961011, "molecule_chembl_id": "CHEMBL1608183", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "420.48", "alogp": "2.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "isoflupredone-acetate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.735", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956419", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956419, "molecule_chembl_id": "CHEMBL381230", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "277.71", "alogp": "1.91", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "(\u00b1)-Necrostatin-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961362", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961362, "molecule_chembl_id": "CHEMBL181276", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "856.89", "alogp": "-8.45", "num_ro5_violations": 3, "max_phase": 0, "compound_key": "DAPTA"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.864", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960419", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CHIR-99021", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960419, "molecule_chembl_id": "CHEMBL412142", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "465.35", "alogp": "4.94", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CHIR-99021 (CT99021) HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-18.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960927", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960927, "molecule_chembl_id": "CHEMBL2143592", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "468.85", "alogp": "5.00", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "BMS 794833"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.564", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961114", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961114, "molecule_chembl_id": "CHEMBL540356", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "349.30", "alogp": "4.25", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pifithrin-cyclic"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.113", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Br.Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960061", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960061, "molecule_chembl_id": "CHEMBL391586", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "367.20", "alogp": "4.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TCS-PIM-1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.566", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961260", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961260, "molecule_chembl_id": "CHEMBL477923", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Parthenolide ((-)-Parthenolide)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.923", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\\CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960591", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960591, "molecule_chembl_id": "CHEMBL2037226", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "535.50", "alogp": "7.36", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "GNF-5837"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "29.54", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\\c1ccc[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955824", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MOCETINOSTAT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955824, "molecule_chembl_id": "CHEMBL272980", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "3.99", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Mocetinostat dihydrobromide\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959705", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIVARACETAM", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959705, "molecule_chembl_id": "CHEMBL607400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "212.29", "alogp": "0.90", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Brivaracetam"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-2.274", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959433", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RIMANTADINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959433, "molecule_chembl_id": "CHEMBL535396", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "215.77", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "RIMANTADINE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(N)C12CC3CC(CC(C3)C1)C2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961435", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961435, "molecule_chembl_id": "CHEMBL472940", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "350.46", "alogp": "6.20", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "IPA-3"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "99.89", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154437", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "MYCOPHENOLIC ACID", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154437, "molecule_chembl_id": "CHEMBL866", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "320.34", "alogp": "2.73", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "MYCOPHENOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13030.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149054", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "HALAZONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149054, "molecule_chembl_id": "CHEMBL1368146", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "270.09", "alogp": "1.68", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HALAZONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154576", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "IDARUBICIN HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154576, "molecule_chembl_id": "CHEMBL1200976", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "533.96", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Idarubicin HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154388", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154388, "molecule_chembl_id": "CHEMBL1213137", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "598.09", "alogp": "6.56", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CLOMIPHENE CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149422", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149422, "molecule_chembl_id": "CHEMBL4303203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "548.07", "alogp": "1.29", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Edoxaban"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCc2nc(C(=O)N[C@H]3C[C@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150102", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GEMIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150102, "molecule_chembl_id": "CHEMBL430", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "389.39", "alogp": "0.97", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "GEMIFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149855", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149855, "molecule_chembl_id": "CHEMBL4303636", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "419.38", "alogp": "3.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "zopolrestat"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)C=C1NN(Cc2nc3cc(C(F)(F)F)ccc3s2)C(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154360", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154360, "molecule_chembl_id": "CHEMBL274619", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "440.42", "alogp": "0.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "AMINOPTERIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "30.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149858", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149858, "molecule_chembl_id": "CHEMBL3122113", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.33", "alogp": "3.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GNE-0877"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154281", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "4.84", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154281, "molecule_chembl_id": "CHEMBL365442", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "567.80", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NELFINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14310.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150233", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150233, "molecule_chembl_id": "CHEMBL1417786", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.40", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-355166"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCNC(=O)c2ccc(C)s2)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150572", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NEFOPAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150572, "molecule_chembl_id": "CHEMBL465026", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "253.35", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "NEFOPAM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCOC(c2ccccc2)c2ccccc2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150283", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NADIFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150283, "molecule_chembl_id": "CHEMBL363449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.38", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nadifloxacin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148976", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148976, "molecule_chembl_id": "CHEMBL1449651", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "164.30", "alogp": "1.30", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pyrrolidine-dithiocarbamate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N.S=C(S)N1CCCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153484", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153484, "molecule_chembl_id": "CHEMBL3039061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "402.53", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DEHYDROCHOLIC_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CCC(=O)O)[C@H]1CCC2C3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148141", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148141, "molecule_chembl_id": "CHEMBL1765704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "445.49", "alogp": "4.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SHA-68"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149405", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CENERIMOD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149405, "molecule_chembl_id": "CHEMBL4297505", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.54", "alogp": "4.07", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Cenerimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148472", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "QUINAPRIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148472, "molecule_chembl_id": "CHEMBL1592", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "438.52", "alogp": "2.57", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "QUINAPRIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148982", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PIRENPERONE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148982, "molecule_chembl_id": "CHEMBL18331", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "393.46", "alogp": "3.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "pirenperone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153507", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153507, "molecule_chembl_id": "CHEMBL592176", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.46", "alogp": "4.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Calcium-Sensing Receptor Antagonists I"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.7", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154003", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ISOPROPYL PALMITATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154003, "molecule_chembl_id": "CHEMBL139055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "298.51", "alogp": "6.42", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Isopropyl Palmitate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.45", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC(=O)OC(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154289", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.28", "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154289, "molecule_chembl_id": "CHEMBL3752910", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "503.49", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "NVP-BHG712"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5260.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961649", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PONESIMOD", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961649, "molecule_chembl_id": "CHEMBL1096146", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "460.98", "alogp": "4.27", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Ponesimod"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959047", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CARTEOLOL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959047, "molecule_chembl_id": "CHEMBL1201002", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "328.84", "alogp": "1.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Carteolol hydrochloride"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.872", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960780", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SETIPIPRANT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960780, "molecule_chembl_id": "CHEMBL2386081", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "402.43", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Setipiprant"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.312", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20145554", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20145554, "molecule_chembl_id": "CHEMBL4539742", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "336.42", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARN-3236"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "23.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961206", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961206, "molecule_chembl_id": "CHEMBL4303143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "390.47", "alogp": "4.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Lubiprostone"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.135", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147308", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANACETRAPIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147308, "molecule_chembl_id": "CHEMBL1800807", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "637.51", "alogp": "9.76", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "ANACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955858", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "APIXABAN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955858, "molecule_chembl_id": "CHEMBL231779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "459.51", "alogp": "2.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Apixaban\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955514", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PAZUFLOXACIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955514, "molecule_chembl_id": "CHEMBL240163", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.30", "alogp": "1.74", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Pazufloxacin\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "19.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153053", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153053, "molecule_chembl_id": "CHEMBL3609372", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "479.93", "alogp": "5.06", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NVS-PAK1-1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153054", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VERUBECESTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153054, "molecule_chembl_id": "CHEMBL3301601", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "409.42", "alogp": "1.63", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "VERUBECESTAT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960078", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960078, "molecule_chembl_id": "CHEMBL3786182", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "364.49", "alogp": "3.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK2879552"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147080", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147080, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amisulpride\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148582", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148582, "molecule_chembl_id": "CHEMBL4078971", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.28", "alogp": "4.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-323026"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.35", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1oc2cc3oc(=O)c4ccccc4c3cc2c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148590", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHRADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148590, "molecule_chembl_id": "CHEMBL1604", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.41", "alogp": "0.35", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefradine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152911", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152911, "molecule_chembl_id": "CHEMBL217354", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "573.71", "alogp": "6.90", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "TW-37"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "10.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148406", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148406, "molecule_chembl_id": "CHEMBL2354637", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "527.61", "alogp": "3.65", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "OXELAIDIN CITRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151532", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BIIB021", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151532, "molecule_chembl_id": "CHEMBL467399", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.77", "alogp": "2.13", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "BIIB021"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "16.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148293", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LOXORIBINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148293, "molecule_chembl_id": "CHEMBL292008", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.31", "alogp": "-2.32", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "RWJ-21757"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959961", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "NAFAMOSTAT MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959961, "molecule_chembl_id": "CHEMBL3989553", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "539.59", "alogp": "2.65", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Nafamostat mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-16.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958238", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958238, "molecule_chembl_id": "CHEMBL1428763", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "222.29", "alogp": "3.39", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-270846"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "25.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Cn2cnc3ccccc32)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146826", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146826, "molecule_chembl_id": "CHEMBL2140203", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "340.46", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CANRENONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12CCC3C(C=CC4=CC(=O)CC[C@@]43C)C1CC[C@@]21CCC(=O)O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963150", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TAZAROTENE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963150, "molecule_chembl_id": "CHEMBL1657", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "351.47", "alogp": "4.43", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tazarotene (Avage)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-154.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964282", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Dtt Insensitive", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": "6.40", "bao_label": "assay format", "molecule_pref_name": "MYRICETIN", "assay_chembl_id": "CHEMBL4495583", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964282, "molecule_chembl_id": "CHEMBL164", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "318.24", "alogp": "1.69", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Myricetin (Cannabiscetin)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "400.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959677", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BETHANECHOL CHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959677, "molecule_chembl_id": "CHEMBL1768", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "196.68", "alogp": "0.18", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "BETHANECHOL CHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.916", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C[N+](C)(C)C)OC(N)=O.[Cl-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959686", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RU-24969", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959686, "molecule_chembl_id": "CHEMBL18785", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "228.29", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RU 24969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc2[nH]cc(C3=CCNCC3)c2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152214", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152214, "molecule_chembl_id": "CHEMBL1410015", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "300.38", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "IU1"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151301", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151301, "molecule_chembl_id": "CHEMBL53898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "322.36", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AG-555"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959583", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959583, "molecule_chembl_id": "CHEMBL1257078", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.01", "alogp": "4.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "bepridil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.6026", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147680", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147680, "molecule_chembl_id": "CHEMBL4303365", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "488.99", "alogp": "6.41", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Ki16198"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)CCSCc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147688", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "7-NITROINDAZOLE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147688, "molecule_chembl_id": "CHEMBL247378", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "163.14", "alogp": "1.47", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "7-nitroindazole"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=[N+]([O-])c1cccc2cn[nH]c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153595", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "L-778123", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153595, "molecule_chembl_id": "CHEMBL279433", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "405.89", "alogp": "3.31", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "L-778123"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148735", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEFIXIME", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148735, "molecule_chembl_id": "CHEMBL1541", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "453.46", "alogp": "-0.54", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cefixime\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147244", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "NB-ACETYLTRYPTAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147244, "molecule_chembl_id": "CHEMBL33171", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "202.26", "alogp": "1.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "N-acetyltryptamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)NCCc1c[nH]c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151748", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLEMASTINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151748, "molecule_chembl_id": "CHEMBL1626", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "343.90", "alogp": "5.10", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "clemastine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147965", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZASETRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147965, "molecule_chembl_id": "CHEMBL1598608", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.82", "alogp": "1.52", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Azasetron HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152190", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "9-AMINOCAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152190, "molecule_chembl_id": "CHEMBL274070", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "363.37", "alogp": "1.66", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "9-Aminocamptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146779", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146779, "molecule_chembl_id": "CHEMBL3894333", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.74", "alogp": "2.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ADX-10059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146862", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146862, "molecule_chembl_id": "CHEMBL4303629", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "442.45", "alogp": "1.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HYDROCORTISONE PHOSPHATE TRIETHYLAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)COP(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960853", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960853, "molecule_chembl_id": "CHEMBL1552551", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "401.96", "alogp": "5.57", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "SC-9"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.267", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=S(=O)(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149693", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARAXANTHINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149693, "molecule_chembl_id": "CHEMBL1158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "180.17", "alogp": "-1.04", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Paraxanthine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)[nH]c2ncn(C)c2c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151928", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CLOXACILLIN SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151928, "molecule_chembl_id": "CHEMBL1200388", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "475.89", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CLOXACILLIN SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151436", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151436, "molecule_chembl_id": "CHEMBL1331148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.98", "alogp": "4.85", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-7"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152637", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152637, "molecule_chembl_id": "CHEMBL209148", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "623.85", "alogp": "5.69", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BMS-509744"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153389", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153389, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BMS-599626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148784", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CYCLANDELATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148784, "molecule_chembl_id": "CHEMBL1480987", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "276.38", "alogp": "3.48", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CYCLANDELATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153298", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHICAGO SKY BLUE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153298, "molecule_chembl_id": "CHEMBL311909", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "904.89", "alogp": "6.07", "num_ro5_violations": 4, "max_phase": 0, "compound_key": "chicago-sky-blue-6b"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.62", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149069, "molecule_chembl_id": "CHEMBL483059", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "408.59", "alogp": "4.98", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "dynole-34-2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.21", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CCCN(C)C)c2ccccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149267", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TILUDRONIC ACID", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149267, "molecule_chembl_id": "CHEMBL1350", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "318.61", "alogp": "2.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Tiludronate disodium"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149169", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RIBOFLAVIN 5'-PHOSPHATE SODIUM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149169, "molecule_chembl_id": "CHEMBL3989697", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "514.36", "alogp": "-1.61", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RIBOFLAVIN 5-PHOSPHATE SODIUM"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153674", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153674, "molecule_chembl_id": "CHEMBL1234757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "188.18", "alogp": "-1.16", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ACEGLUTAMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153404", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AMOXICILLIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153404, "molecule_chembl_id": "CHEMBL1082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "365.41", "alogp": "0.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "AMOXICILLIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955865", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LACIDIPINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955865, "molecule_chembl_id": "CHEMBL460291", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.55", "alogp": "4.40", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Lacidipine\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SALICYLIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955695, "molecule_chembl_id": "CHEMBL424", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "138.12", "alogp": "1.09", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Salicylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "32.4", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955880", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CP1-1189", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955880, "molecule_chembl_id": "CHEMBL4297369", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "234.30", "alogp": "2.17", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "REN-1189"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.56", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955786", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CINALUKAST", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955786, "molecule_chembl_id": "CHEMBL283754", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "412.56", "alogp": "5.80", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "Cinalukast\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960327", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SITOGLUSIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960327, "molecule_chembl_id": "CHEMBL506678", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "576.86", "alogp": "5.85", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Daucosterol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960328", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960328, "molecule_chembl_id": "CHEMBL4303437", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "441.51", "alogp": "3.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AZD3264"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.575", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960580", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "LAPATINIB DITOSYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960580, "molecule_chembl_id": "CHEMBL1201179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "943.49", "alogp": "6.14", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Lapatinib (GW-572016) Ditosylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "6.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148760", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLOROPHENOTHANE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148760, "molecule_chembl_id": "CHEMBL416898", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "354.49", "alogp": "6.50", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "4;4'-DDT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153269", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "VORINOSTAT", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153269, "molecule_chembl_id": "CHEMBL98", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "264.32", "alogp": "2.47", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Vorinostat (SAHA; MK0683)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.33", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147279", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147279, "molecule_chembl_id": "CHEMBL4303529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "452.64", "alogp": "7.94", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "YM-750"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c(NC(=O)N(Cc2ccc3c(c2)Cc2ccccc2-3)C2CCCCCC2)c(C)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148365", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ZATEBRADINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148365, "molecule_chembl_id": "CHEMBL69679", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.58", "alogp": "3.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Zatebradine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153971", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153971, "molecule_chembl_id": "CHEMBL337173", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "321.76", "alogp": "0.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NSC 663284"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.32", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153187", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153187, "molecule_chembl_id": "CHEMBL3186037", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "339.47", "alogp": "4.28", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "KHS-101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)CNc1ccnc(NCc2csc(-c3ccccc3)n2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMADACYCLINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152501, "molecule_chembl_id": "CHEMBL1689772", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "556.66", "alogp": "1.32", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Omadacycline (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146374", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BENTIROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146374, "molecule_chembl_id": "CHEMBL1200368", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.42", "alogp": "3.07", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "bentiromide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961377", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961377, "molecule_chembl_id": "CHEMBL88147", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.83", "alogp": "4.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MRS-1220"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "17.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956389", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": "Outside typical range", "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956389, "molecule_chembl_id": "CHEMBL4082745", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "454.91", "alogp": "7.35", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "MK-3903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-10.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955504", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "AMISULPRIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955504, "molecule_chembl_id": "CHEMBL243712", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "369.49", "alogp": "1.29", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Amisulpride\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "26.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956490", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "METERGOLINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956490, "molecule_chembl_id": "CHEMBL19215", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "403.53", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "metergoline"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964407", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "% Inhibition At 10Um Mers 3Cl-Pro", "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PROFLAVINE", "assay_chembl_id": "CHEMBL4495585", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4295557", "activity_id": 19964407, "molecule_chembl_id": "CHEMBL55400", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "209.25", "alogp": "2.55", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Proflavine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Middle East respiratory syndrome", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)", "potential_duplicate": false, "canonical_smiles": "Nc1ccc2cc3ccc(N)cc3nc2c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "MERS 3CL-Pro protease inhibition percentage at 10 \u00b5M by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956499", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFOTAXIME", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956499, "molecule_chembl_id": "CHEMBL1730", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "455.47", "alogp": "-0.62", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "CEFOTAXIME"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.74", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960748", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "VOLINANSERIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960748, "molecule_chembl_id": "CHEMBL74355", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "373.47", "alogp": "3.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "volinanserin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19964125", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19964125, "molecule_chembl_id": "CHEMBL4303458", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "213.24", "alogp": "1.84", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PluriSIn #1 (NSC 14613)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.999", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(NNc1ccccc1)c1ccncc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960189", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALANYL GLUTAMINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960189, "molecule_chembl_id": "CHEMBL3707366", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "217.22", "alogp": "-1.83", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "L-Alanine-L-glutamine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.198", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960651", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960651, "molecule_chembl_id": "CHEMBL4303443", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "511.58", "alogp": "0.84", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "Cefetamet pivoxil (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-1.333", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147511", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFASALAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147511, "molecule_chembl_id": "CHEMBL421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.40", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "SULFASALAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956460", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "URIDINE TRIPHOSPHATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956460, "molecule_chembl_id": "CHEMBL336296", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "484.14", "alogp": "-2.50", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "URIDINE TRIPHOSPHATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "13.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152089", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152089, "molecule_chembl_id": "CHEMBL3183398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "480.64", "alogp": "1.85", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "20-HYDROXYECDYSONE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151829", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AC-480", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151829, "molecule_chembl_id": "CHEMBL1645462", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "530.56", "alogp": "3.86", "num_ro5_violations": 1, "max_phase": 1, "compound_key": "BMS-599626"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959695", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TROVAFLOXACIN MESYLATE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959695, "molecule_chembl_id": "CHEMBL1200779", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "512.47", "alogp": "1.89", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Trovafloxacin mesylate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "18.66", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959536", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CEFSULODIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959536, "molecule_chembl_id": "CHEMBL3351077", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "532.56", "alogp": "-0.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Cefsulodin (sodium)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.931", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960428", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLX-4720", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960428, "molecule_chembl_id": "CHEMBL1230020", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "413.83", "alogp": "3.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PLX-4720"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.709", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152476", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GSK-690693", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152476, "molecule_chembl_id": "CHEMBL494089", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "425.49", "alogp": "1.58", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "GSK-690693"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148569", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148569, "molecule_chembl_id": "CHEMBL1223381", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "422.29", "alogp": "4.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "VU 0364439"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1)c1ccccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148580", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148580, "molecule_chembl_id": "CHEMBL4524642", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "366.48", "alogp": "6.24", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "fluorobexarotene"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153088", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PYRIMETHAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153088, "molecule_chembl_id": "CHEMBL36", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.72", "alogp": "2.52", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PYRIMETHAMINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153103", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153103, "molecule_chembl_id": "CHEMBL1319403", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.38", "alogp": "0.39", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "kakonein"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148842", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ENROFLOXACIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148842, "molecule_chembl_id": "CHEMBL15511", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "359.40", "alogp": "2.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ENROFLOXACIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147967", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147967, "molecule_chembl_id": "CHEMBL4303364", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "231.13", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-bromocamphor"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC12CCC(C(Br)C1=O)C2(C)C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959662", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "RANOLAZINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959662, "molecule_chembl_id": "CHEMBL1526084", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "500.47", "alogp": "2.31", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "RANOLAZINE DIHYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-7.584", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147910", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRICHLOROETHYLENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147910, "molecule_chembl_id": "CHEMBL279816", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "131.39", "alogp": "2.50", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "TRICHLOROETHYLENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "ClC=C(Cl)Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151444", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "XILOBAM", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151444, "molecule_chembl_id": "CHEMBL382769", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "245.33", "alogp": "2.96", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Xilobam\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.23", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(C)c1NC(=O)/N=C1\\CCCN1C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152744", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152744, "molecule_chembl_id": "CHEMBL35482", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "267.28", "alogp": "3.05", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PD-98059"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(=O)c3ccccc3o2)c1N", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153069", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OMARIGLIPTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153069, "molecule_chembl_id": "CHEMBL2105762", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "398.44", "alogp": "1.14", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "OMARIGLIPTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19961239", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19961239, "molecule_chembl_id": "CHEMBL4303165", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "114.08", "alogp": "0.32", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "5-FP"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.595", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Oc1ncc(F)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960343", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "SOMATOSTATIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960343, "molecule_chembl_id": "CHEMBL1823872", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "1637.91", "alogp": null, "num_ro5_violations": null, "max_phase": 3, "compound_key": "somatostatin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "4.979", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150496", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150496, "molecule_chembl_id": "CHEMBL3360305", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.40", "alogp": "2.60", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-HSP990"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.48", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963710", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "MINODRONIC ACID", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963710, "molecule_chembl_id": "CHEMBL319144", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "322.15", "alogp": "-0.12", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Minodronic_acid Hydrate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.38", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19963879", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19963879, "molecule_chembl_id": "CHEMBL362051", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "407.51", "alogp": "2.78", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ARC-239"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153319", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIMEPRAZINE TARTRATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153319, "molecule_chembl_id": "CHEMBL1713082", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "448.54", "alogp": "4.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "TRIMEPRAZINE TARTRATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959289", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "BRIVUDINE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959289, "molecule_chembl_id": "CHEMBL31634", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "333.14", "alogp": "-0.46", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "(E)-5-(2-Bromovinyl)-2'-deoxyuridine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.846", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152201", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IBRUTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152201, "molecule_chembl_id": "CHEMBL1873475", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "440.51", "alogp": "4.22", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "PCI-32765 (Ibrutinib)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152203", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152203, "molecule_chembl_id": "CHEMBL215421", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "381.86", "alogp": "2.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WB-4101"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152204", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DIMINAZENE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152204, "molecule_chembl_id": "CHEMBL35241", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "281.32", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "DIMINAZENE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152217", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152217, "molecule_chembl_id": "CHEMBL259551", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "327.35", "alogp": "2.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FR 180204"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960133", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CENTROPHENOXINE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960133, "molecule_chembl_id": "CHEMBL1256131", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "294.18", "alogp": "1.82", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "MECLOFENOXATE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "9.156", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150754", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150754, "molecule_chembl_id": "CHEMBL3183531", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "417.51", "alogp": "3.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK J4 HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960146", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "TEMOCAPRIL HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960146, "molecule_chembl_id": "CHEMBL2104499", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "513.08", "alogp": "2.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Temocapril HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.558", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146261", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146261, "molecule_chembl_id": "CHEMBL536480", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "474.45", "alogp": "2.90", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "E-4031"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.25", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1.Cl.Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960151", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960151, "molecule_chembl_id": "CHEMBL1775179", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "477.52", "alogp": "2.75", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "APD668"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.19", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151189", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CEPHALOTHIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151189, "molecule_chembl_id": "CHEMBL617", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "396.45", "alogp": "0.59", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Cephalothin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150767", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BETAMIPRON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150767, "molecule_chembl_id": "CHEMBL1231530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "0.89", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Betamipron\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)CCNC(=O)c1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154170", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FLUORESCEIN DIACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154170, "molecule_chembl_id": "CHEMBL1492044", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "416.39", "alogp": "4.11", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FLUORESCEIN DIACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148938", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148938, "molecule_chembl_id": "CHEMBL291143", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "329.44", "alogp": "3.26", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A77636"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149627", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CANTHARIDIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149627, "molecule_chembl_id": "CHEMBL48449", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "196.20", "alogp": "0.64", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CANTHARIDIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.13", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150054", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150054, "molecule_chembl_id": "CHEMBL1256027", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.12", "alogp": "1.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "m-Chlorophenylbiguanide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.28", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.N=C(N)NC(=N)Nc1cccc(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151577", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151577, "molecule_chembl_id": "CHEMBL4542477", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "360.39", "alogp": "4.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A-769662"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.01", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#CC1C(=O)Nc2scc(-c3ccc(-c4ccccc4O)cc3)c2C1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154623", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "RALOXIFENE HYDROCHLORIDE", "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154623, "molecule_chembl_id": "CHEMBL1116", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "510.06", "alogp": "6.08", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "RALOXIFENE HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.14", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959628", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959628, "molecule_chembl_id": "CHEMBL1712596", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "408.40", "alogp": "-0.34", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Ginkgolide A"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.09", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]21O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147154", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147154, "molecule_chembl_id": "CHEMBL3753077", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "434.49", "alogp": "4.02", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JW 55"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147254", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147254, "molecule_chembl_id": "CHEMBL498270", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "344.85", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "TRAM-34"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.43", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151669", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "AZD-8055", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151669, "molecule_chembl_id": "CHEMBL1801204", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "465.55", "alogp": "2.64", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "AZD8055"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "5.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152774", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DONEPEZIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152774, "molecule_chembl_id": "CHEMBL502", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "379.50", "alogp": "4.36", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "DONEPEZIL"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.2", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151430", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151430, "molecule_chembl_id": "CHEMBL1628691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.27", "alogp": "4.77", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "A 839977"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.16", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151257", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151257, "molecule_chembl_id": "CHEMBL4303725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.16", "alogp": "-0.22", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "3-Methyladenine (3-MA)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1cnc(=N)c2nc[nH]c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19960269", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19960269, "molecule_chembl_id": "CHEMBL3356143", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "380.45", "alogp": "2.74", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PFI-4"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "15.63", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147064", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PF-04217903", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147064, "molecule_chembl_id": "CHEMBL2001019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "372.39", "alogp": "1.67", "num_ro5_violations": 0, "max_phase": 1, "compound_key": "PF-04217903"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.44", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153320", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALISERTIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153320, "molecule_chembl_id": "CHEMBL483158", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "518.93", "alogp": "5.75", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "ALISERTIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.14", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955501", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ACTARIT", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955501, "molecule_chembl_id": "CHEMBL1885632", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "193.20", "alogp": "1.27", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Actarit\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "22.96", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)Nc1ccc(CC(=O)O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151662", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PROPYLPYRAZOLETRIOL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151662, "molecule_chembl_id": "CHEMBL441282", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.45", "alogp": "5.28", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PPT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955592", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "ALOGLIPTIN", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955592, "molecule_chembl_id": "CHEMBL376359", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "339.40", "alogp": "0.39", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Alogliptin benzoate\u00ca"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "11.53", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20146070", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20146070, "molecule_chembl_id": "CHEMBL1740879", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "319.36", "alogp": "0.93", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "scopolamine-n-oxide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150571", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150571, "molecule_chembl_id": "CHEMBL1445061", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "236.75", "alogp": "1.87", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PNU-22394"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cl.Cn1c2c(c3ccccc31)CCNCC2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956403", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956403, "molecule_chembl_id": "CHEMBL4540808", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "416.87", "alogp": "2.83", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "JH-II-127"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "3.52", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CNc1[nH]c(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2ncc(Cl)c1-2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19956503", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "PLERIXAFOR", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19956503, "molecule_chembl_id": "CHEMBL18442", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "502.80", "alogp": "0.42", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "Plerixafor (octahydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.88", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152173", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ALPELISIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152173, "molecule_chembl_id": "CHEMBL2396661", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "441.48", "alogp": "3.84", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ALPELISIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.36", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20150666", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EGLUMETAD", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20150666, "molecule_chembl_id": "CHEMBL8759", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "185.18", "alogp": "-0.49", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "LY354740"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19959141", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19959141, "molecule_chembl_id": "CHEMBL2375681", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "298.39", "alogp": "3.06", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "carazolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "8.5", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)NC[C@@H](O)COc1cccc2[nH]c3ccccc3c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149813", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149813, "molecule_chembl_id": "CHEMBL4303618", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "283.33", "alogp": "3.70", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "heclin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19958623", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": "CLORANOLOL", "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19958623, "molecule_chembl_id": "CHEMBL156791", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "292.21", "alogp": "3.12", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "cloranolol"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "12.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "19955759", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Replicase polyprotein 1ab", "pchembl_value": null, "bao_label": "assay format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4495582", "document_chembl_id": "CHEMBL4495564", "target_chembl_id": "CHEMBL4523582", "activity_id": 19955759, "molecule_chembl_id": "CHEMBL1213478", "_metadata": {"target_data": {"target_type": "SINGLE PROTEIN"}, "parent_molecule_data": {"full_mwt": "156.10", "alogp": "-1.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Uracil 5-carboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": null, "assay_cell_type": null, "assay_organism": "Severe acute respiratory syndrome coronavirus 2", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33.37", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(O)c1c[nH]c(=O)[nH]c1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "SARS-CoV-2 3CL-Pro protease inhibition percentage at 20\u00b5M  by FRET kind of response from peptide substrate", "bao_format": "BAO_0000019"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152430", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152430, "molecule_chembl_id": "CHEMBL4068896", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "509.39", "alogp": "6.80", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "BLU9931"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.42", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)Nc1cccc(C)c1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20151076", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "DEXNIGULDIPINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20151076, "molecule_chembl_id": "CHEMBL2051956", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "609.72", "alogp": "6.02", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "dexniguldipine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.15", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152899", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152899, "molecule_chembl_id": "CHEMBL1651524", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.47", "alogp": "5.77", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "PF-3845"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149803", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SULFACHLORPYRIDAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149803, "molecule_chembl_id": "CHEMBL1443577", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "284.73", "alogp": "1.51", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SULFACHLORPYRIDAZINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154237", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": "5.89", "bao_label": "organism-based format", "molecule_pref_name": "DELANZOMIB", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154237, "molecule_chembl_id": "CHEMBL270515", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "413.28", "alogp": null, "num_ro5_violations": null, "max_phase": 1, "compound_key": "DELANZOMIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1300.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149120", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SUFENTANIL", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149120, "molecule_chembl_id": "CHEMBL658", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Sufentanil"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153194", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153194, "molecule_chembl_id": "CHEMBL3393348", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "305.34", "alogp": "2.33", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-06447475"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148170", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148170, "molecule_chembl_id": "CHEMBL3906219", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "367.45", "alogp": "2.88", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CAY10591"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.03", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148918", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "1-Aminocyclopropane carboxylic acid", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148918, "molecule_chembl_id": "CHEMBL265325", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "101.11", "alogp": "-0.44", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "1-Aminocyclopropanecarboxylic_acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC1(C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149952", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PAROMOMYCIN SULFATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149952, "molecule_chembl_id": "CHEMBL2206196", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "713.71", "alogp": "-8.86", "num_ro5_violations": 3, "max_phase": 4, "compound_key": "paromomycin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149584", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149584, "molecule_chembl_id": "CHEMBL4303627", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "154.17", "alogp": "0.17", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "proacipimox"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COCc1c[n+]([O-])c(C)cn1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154599", "_score": 6.4024553, "_source": {"standard_units": null, "standard_type": "Selectivity index", "standard_relation": "=", "data_validity_comment": null, "activity_comment": "Selectivity Index = Cc50/Ic50", "target_pref_name": "ADMET", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513085", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL612558", "activity_id": 20154599, "molecule_chembl_id": "CHEMBL365442", "_metadata": {"target_data": {"target_type": "ADMET"}, "parent_molecule_data": {"full_mwt": "567.80", "alogp": "4.75", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "NELFINAVIR MESYLATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.31", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": null, "potential_duplicate": false, "canonical_smiles": "Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C", "document_journal": null, "uo_units": null, "assay_description": "Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells versus toxicity against VERO-E6 cells (CC50/IC50)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153861", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ARGLABIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153861, "molecule_chembl_id": "CHEMBL2206431", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "246.31", "alogp": "2.37", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Arglabin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.31", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154401", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "CC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "Vero C1008", "pchembl_value": null, "bao_label": "cell-based format", "molecule_pref_name": "EVACETRAPIB", "assay_chembl_id": "CHEMBL4513084", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303840", "activity_id": 20154401, "molecule_chembl_id": "CHEMBL2017179", "_metadata": {"target_data": {"target_type": "CELL-LINE"}, "parent_molecule_data": {"full_mwt": "638.66", "alogp": "7.10", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "EVACETRAPIB"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "T", "document_year": 2020, "src_id": 52, "target_organism": "Chlorocebus sabaeus", "potential_duplicate": false, "canonical_smiles": "Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Toxicity CC50 against VERO-E6 cells determined at 48 hours by high content imaging (same conditions as 2_LEY without exposure to 0.01 MOI SARS CoV-2 virus)", "bao_format": "BAO_0000219"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149297", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "GALLAMINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149297, "molecule_chembl_id": "CHEMBL360055", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "510.83", "alogp": "5.45", "num_ro5_violations": 2, "max_phase": 4, "compound_key": "GALLAMINE TRIETHIODIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153984", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "RETASPIMYCIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153984, "molecule_chembl_id": "CHEMBL1184904", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "587.71", "alogp": "4.16", "num_ro5_violations": 2, "max_phase": 3, "compound_key": "RETASPIMYCIN HYDROCHLORIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153750", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TAK-285", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153750, "molecule_chembl_id": "CHEMBL1614725", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "547.97", "alogp": "5.92", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "TAK-285"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "14.67", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149093", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TROXERUTIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149093, "molecule_chembl_id": "CHEMBL3182320", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "742.68", "alogp": "-2.69", "num_ro5_violations": 3, "max_phase": 3, "compound_key": "TROXERUTIN"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149425", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "FENACLON", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149425, "molecule_chembl_id": "CHEMBL2106620", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "211.69", "alogp": "1.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "FENACLON"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(CCCl)NCCc1ccccc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153934", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "POZIOTINIB", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153934, "molecule_chembl_id": "CHEMBL3545154", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "491.35", "alogp": "5.38", "num_ro5_violations": 1, "max_phase": 2, "compound_key": "Poziotinib"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "7.69", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148478", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CGM-097", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148478, "molecule_chembl_id": "CHEMBL3601398", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "659.27", "alogp": "6.58", "num_ro5_violations": 2, "max_phase": 1, "compound_key": "NVP-CGM097"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.91", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20147900", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "TRIHEPTANOIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20147900, "molecule_chembl_id": "CHEMBL4297585", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "428.61", "alogp": "5.90", "num_ro5_violations": 1, "max_phase": 4, "compound_key": "Glycerol triheptanoate"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153482", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "BMS-777607", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153482, "molecule_chembl_id": "CHEMBL460702", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "512.90", "alogp": "5.19", "num_ro5_violations": 2, "max_phase": 2, "compound_key": "BMS 777607"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.26", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153528", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153528, "molecule_chembl_id": "CHEMBL1394757", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "232.28", "alogp": "1.35", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "AMINOGLUTETHIMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.06", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154132", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "PARTHENOLIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154132, "molecule_chembl_id": "CHEMBL540445", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "248.32", "alogp": "2.76", "num_ro5_violations": 0, "max_phase": 2, "compound_key": "Parthenolide"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152343", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152343, "molecule_chembl_id": "CHEMBL3527048", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "456.60", "alogp": "3.80", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PF-4981517"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.1", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](N6CCCCC6)C5)c34)cnn2C)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149243", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "LALANOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149243, "molecule_chembl_id": "CHEMBL24530", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "149.11", "alogp": "-1.23", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Alanosine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.27", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "NC(CN(O)N=O)C(=O)O", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149244", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149244, "molecule_chembl_id": "CHEMBL1720563", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "350.60", "alogp": "4.97", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "CYM-50260"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.18", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149479", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149479, "molecule_chembl_id": "CHEMBL1453457", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "223.23", "alogp": "0.54", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "salsolinol-1-carboxylic-acid"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.04", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "C[C@@]1(C(=O)O)NCCc2cc(O)c(O)cc21", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153758", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153758, "molecule_chembl_id": "CHEMBL1092926", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "490.56", "alogp": "4.20", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "NVP-BSK805 2HCl"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.34", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153927", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "SPHINGOSINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153927, "molecule_chembl_id": "CHEMBL67166", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "299.50", "alogp": "3.92", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "SPHINGOSINE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.07", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148980", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "OLICERIDINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148980, "molecule_chembl_id": "CHEMBL2443262", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "386.56", "alogp": "4.69", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "Oliceridine (hydrochloride)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.12", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148349", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148349, "molecule_chembl_id": "CHEMBL3991927", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "424.48", "alogp": "3.24", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "HMN-214"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.71", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153951", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CETRIMONIUM BROMIDE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153951, "molecule_chembl_id": "CHEMBL307346", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.46", "alogp": "6.17", "num_ro5_violations": 1, "max_phase": 0, "compound_key": "CETRIMONIUM BROMIDE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.3", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152862", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152862, "molecule_chembl_id": "CHEMBL1336959", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "241.32", "alogp": "3.36", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "PBIT"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "Cc1ccc(-n2sc3ccccc3c2=O)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152333", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "EPLIVANSERIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152333, "molecule_chembl_id": "CHEMBL257704", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "328.39", "alogp": "3.53", "num_ro5_violations": 0, "max_phase": 3, "compound_key": "Eplivanserin\u00c2"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.02", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153382", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CHLORMADINONE ACETATE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153382, "molecule_chembl_id": "CHEMBL110691", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "404.93", "alogp": "4.75", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "CHLORMADINONE ACETATE"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "2.24", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148964", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148964, "molecule_chembl_id": "CHEMBL2262291", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "364.18", "alogp": "3.45", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "WAY-380838"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.08", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153467", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CAMPTOTHECIN", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153467, "molecule_chembl_id": "CHEMBL65", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "348.36", "alogp": "2.08", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "camptothecin"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153888", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153888, "molecule_chembl_id": "CHEMBL4216588", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "513.53", "alogp": "5.38", "num_ro5_violations": 2, "max_phase": 0, "compound_key": "CCT196969"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "1.59", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(-c2ccccc2)n1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20152977", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20152977, "molecule_chembl_id": "CHEMBL4539512", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "473.58", "alogp": "3.15", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "GSK484"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.11", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1cc(C(=O)N2CC[C@@H](O)[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20148279", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "ANETHOLTRITHION", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20148279, "molecule_chembl_id": "CHEMBL178862", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "240.37", "alogp": "4.21", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "Anethole (trithione)"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.68", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "COc1ccc(-c2cc(=S)ss2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20154273", "_score": 6.4024553, "_source": {"standard_units": "nM", "standard_type": "IC50", "standard_relation": ">", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "IDARUBICIN", "assay_chembl_id": "CHEMBL4513083", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20154273, "molecule_chembl_id": "CHEMBL1117", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "497.50", "alogp": "1.02", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "ML069"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "33000.0", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O", "document_journal": null, "uo_units": "UO_0000065", "assay_description": "Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of VERO-E6 cells after 48 hours  exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20149572", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": null, "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20149572, "molecule_chembl_id": "CHEMBL1398529", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "349.43", "alogp": "3.29", "num_ro5_violations": 0, "max_phase": 0, "compound_key": "ML324"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "0.05", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}, {"_index": "chembl_28_activity", "_type": "_doc", "_id": "20153395", "_score": 6.4024553, "_source": {"standard_units": "%", "standard_type": "Inhibition", "standard_relation": "=", "data_validity_comment": null, "activity_comment": null, "target_pref_name": "SARS-CoV-2", "pchembl_value": null, "bao_label": "organism-based format", "molecule_pref_name": "CARIPRAZINE", "assay_chembl_id": "CHEMBL4513082", "document_chembl_id": "CHEMBL4495565", "target_chembl_id": "CHEMBL4303835", "activity_id": 20153395, "molecule_chembl_id": "CHEMBL2028019", "_metadata": {"target_data": {"target_type": "ORGANISM"}, "parent_molecule_data": {"full_mwt": "427.42", "alogp": "4.34", "num_ro5_violations": 0, "max_phase": 4, "compound_key": "cariprazine"}, "assay_data": {"assay_subcellular_fraction": null, "cell_chembl_id": "CHEMBL4295411", "assay_cell_type": "Vero C1008", "assay_organism": "Chlorocebus sabaeus", "tissue_chembl_id": null, "assay_tissue": null}, "source": {"src_description": "SARS-CoV-2 Screening Data"}}, "standard_value": "-0.22", "assay_type": "F", "document_year": 2020, "src_id": 52, "target_organism": "Severe acute respiratory syndrome coronavirus 2", "potential_duplicate": false, "canonical_smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", "document_journal": null, "uo_units": "UO_0000187", "assay_description": "Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging", "bao_format": "BAO_0000218"}}]